N-(4-methylsulfanylphenyl)-1-oxidanylidene-2H-isoquinoline-3-carboxamide

Systemtic Name: N-(4-methylsulfanylphenyl)-1-oxidanylidene-2H-isoquinoline-3-carboxamide Openeye Name: N-(4-methylsulfanylphenyl)-1-oxo-2H-isoquinoline-3-carboxamide CAS Name: N-[4-(methylthio)phenyl]-1-oxo-2H-isoquinoline-3-carboxamide IUPAC Name: N-(4-methylsulfanylphenyl)-1-oxo-2H-isoquinoline-3-carboxamide Traditional Name: 1-keto-N-[4-(methylthio)phenyl]-2H-isoquinoline-3-carboxamide Formula: C17H14N2O2S MolecularWeight: 310.37026

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=O)N2

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C17H14N2O2S/c1-22-13-8-6-12(7-9-13)18-17(21)15-10-11-4-2-3-5-14(11)16(20)19-15/h2-10H,1H3,(H,18,21)(H,19,20)