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2-[4-(4-Amino-5-mercapto-1,2,4-triazo-3-yl)phenyl]-7-methoxy-3-methyl-1(2H)-isoquinolinone
SpectraBase Compound ID 3Q8DPoKvlBX
InChI InChI=1S/C19H17N5O2S/c1-11-9-13-5-8-15(26-2)10-16(13)18(25)23(11)14-6-3-12(4-7-14)17-21-22-19(27)24(17)20/h3-10H,20H2,1-2H3,(H,22,27)
InChIKey HPNVMBOXTKINOP-UHFFFAOYSA-N
Mol Weight 379.44 g/mol
Molecular Formula C19H17N5O2S
Exact Mass 379.110296 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5A9s4sH7hWq
Name 2-[4-(4-Amino-5-mercapto-1,2,4-triazo-3-yl)phenyl]-7-methoxy-3-methyl-1(2H)-isoquinolinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H17N5O2S
InChI InChI=1S/C19H17N5O2S/c1-11-9-13-5-8-15(26-2)10-16(13)18(25)23(11)14-6-3-12(4-7-14)17-21-22-19(27)24(17)20/h3-10H,20H2,1-2H3,(H,22,27)
InChIKey HPNVMBOXTKINOP-UHFFFAOYSA-N
Molecular Weight 379.438 g/mol
SMILES Sc1nnc([n]1N)-c1ccc(N2C(c3cc(OC)ccc3C=C2C)=O)cc1
SPLASH splash10-004i-0019000000-b1c3231293d59268f324
Source of Spectrum Y1-33-1157-22
Synonyms 2-[4-(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]-7-methoxy-3-methyl-1-isoquinolinone 2-[4-(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]-7-methoxy-3-methylisoquinolin-1-one 2-[4-(4-amino-5-thioxo-1H-1,2,4-triazol-3-yl)phenyl]-7-methoxy-3-methyl-isoquinolin-1-one 2-[4-(4-azanyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]-7-methoxy-3-methyl-isoquinolin-1-one
Wiley ID 1526382