8-azanyl-7-cyano-N-phenyl-1-sulfanylidene-2H-isoquinoline-4-carboxamide

Systemtic Name: 8-azanyl-7-cyano-N-phenyl-1-sulfanylidene-2H-isoquinoline-4-carboxamide Openeye Name: 8-amino-7-cyano-N-phenyl-1-thioxo-2H-isoquinoline-4-carboxamide CAS Name: 8-amino-7-cyano-N-phenyl-1-sulfanylidene-2H-isoquinoline-4-carboxamide IUPAC Name: 8-amino-7-cyano-N-phenyl-1-sulfanylidene-2H-isoquinoline-4-carboxamide Traditional Name: 8-amino-7-cyano-N-phenyl-1-thioxo-2H-isoquinoline-4-carboxamide Formula: C17H12N4OS MolecularWeight: 320.36838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C2=CNC(=S)C3=C2C=CC(=C3N)C#N

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C2=CNC(=S)C3=C2C=CC(=C3N)C#N

InChI

InChI=1S/C17H12N4OS/c18-8-10-6-7-12-13(9-20-17(23)14(12)15(10)19)16(22)21-11-4-2-1-3-5-11/h1-7,9H,19H2,(H,20,23)(H,21,22)