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 Google Search
Mol Weight	379.44 g/mol
Molecular Formula	C19H17N5O2S
Exact Mass	379.110296 g/mol

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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
Alternate Name(s)	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
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
Wiley ID	1526382