4-cyano-N-[2-(2-cyanoethylsulfanyl)phenyl]benzamide

Systemtic Name: 4-cyano-N-[2-(2-cyanoethylsulfanyl)phenyl]benzamide Openeye Name: 4-cyano-N-[2-(2-cyanoethylsulfanyl)phenyl]benzamide CAS Name: 4-cyano-N-[2-(2-cyanoethylthio)phenyl]benzamide IUPAC Name: 4-cyano-N-[2-(2-cyanoethylsulfanyl)phenyl]benzamide Traditional Name: 4-cyano-N-[2-(2-cyanoethylthio)phenyl]benzamide Formula: C17H13N3OS MolecularWeight: 307.36962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)C2=CC=C(C=C2)C#N)SCCC#N

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)C2=CC=C(C=C2)C#N)SCCC#N

InChI

InChI=1S/C17H13N3OS/c18-10-3-11-22-16-5-2-1-4-15(16)20-17(21)14-8-6-13(12-19)7-9-14/h1-2,4-9H,3,11H2,(H,20,21)