2-[4-(4-azanyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]-7-methoxy-3-methyl-isoquinolin-1-one

Systemtic Name: 2-[4-(4-azanyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]-7-methoxy-3-methyl-isoquinolin-1-one Openeye Name: 2-[4-(4-amino-5-thioxo-1H-1,2,4-triazol-3-yl)phenyl]-7-methoxy-3-methyl-isoquinolin-1-one CAS Name: 2-[4-(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]-7-methoxy-3-methyl-1-isoquinolinone IUPAC Name: 2-[4-(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]-7-methoxy-3-methylisoquinolin-1-one Traditional Name: 2-[4-(4-amino-5-thioxo-1H-1,2,4-triazol-3-yl)phenyl]-7-methoxy-3-methyl-isocarbostyril Formula: C19H17N5O2S MolecularWeight: 379.43558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C(C=C2)OC)C(=O)N1C3=CC=C(C=C3)C4=NNC(=S)N4N

Isomeric SMILES

CC1=CC2=C(C=C(C=C2)OC)C(=O)N1C3=CC=C(C=C3)C4=NNC(=S)N4N

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)