2-methyl-4-(2-methylphenyl)-3-(sulfanylmethyl)isoquinolin-1-one

Systemtic Name: 2-methyl-4-(2-methylphenyl)-3-(sulfanylmethyl)isoquinolin-1-one Openeye Name: 2-methyl-4-(o-tolyl)-3-(sulfanylmethyl)isoquinolin-1-one CAS Name: 3-(mercaptomethyl)-2-methyl-4-(2-methylphenyl)-1-isoquinolinone IUPAC Name: 2-methyl-4-(2-methylphenyl)-3-(sulfanylmethyl)isoquinolin-1-one Traditional Name: 3-(mercaptomethyl)-2-methyl-4-(o-tolyl)isocarbostyril Formula: C18H17NOS MolecularWeight: 295.39868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(N(C(=O)C3=CC=CC=C32)C)CS

Isomeric SMILES

CC1=CC=CC=C1C2=C(N(C(=O)C3=CC=CC=C32)C)CS

InChI

InChI=1S/C18H17NOS/c1-12-7-3-4-8-13(12)17-14-9-5-6-10-15(14)18(20)19(2)16(17)11-21/h3-10,21H,11H2,1-2H3