2-(cyanomethylsulfanyl)-N-(3-ethynylphenyl)benzamide

Systemtic Name: 2-(cyanomethylsulfanyl)-N-(3-ethynylphenyl)benzamide Openeye Name: 2-(cyanomethylsulfanyl)-N-(3-ethynylphenyl)benzamide CAS Name: 2-(cyanomethylthio)-N-(3-ethynylphenyl)benzamide IUPAC Name: 2-(cyanomethylsulfanyl)-N-(3-ethynylphenyl)benzamide Traditional Name: 2-(cyanomethylthio)-N-(3-ethynylphenyl)benzamide Formula: C17H12N2OS MolecularWeight: 292.35498

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC(=O)C2=CC=CC=C2SCC#N

Isomeric SMILES

C#CC1=CC(=CC=C1)NC(=O)C2=CC=CC=C2SCC#N

InChI

InChI=1S/C17H12N2OS/c1-2-13-6-5-7-14(12-13)19-17(20)15-8-3-4-9-16(15)21-11-10-18/h1,3-9,12H,11H2,(H,19,20)