N-[4-(cyanomethylsulfanyl)phenyl]-2-methyl-benzamide

Systemtic Name: N-[4-(cyanomethylsulfanyl)phenyl]-2-methyl-benzamide Openeye Name: N-[4-(cyanomethylsulfanyl)phenyl]-2-methyl-benzamide CAS Name: N-[4-(cyanomethylthio)phenyl]-2-methylbenzamide IUPAC Name: N-[4-(cyanomethylsulfanyl)phenyl]-2-methylbenzamide Traditional Name: N-[4-(cyanomethylthio)phenyl]-2-methyl-benzamide Formula: C16H14N2OS MolecularWeight: 282.36016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)SCC#N

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)SCC#N

InChI

InChI=1S/C16H14N2OS/c1-12-4-2-3-5-15(12)16(19)18-13-6-8-14(9-7-13)20-11-10-17/h2-9H,11H2,1H3,(H,18,19)