N-(cyanomethyl)-2-(2,5-dimethylphenyl)sulfanyl-N-phenyl-ethanamide

Systemtic Name: N-(cyanomethyl)-2-(2,5-dimethylphenyl)sulfanyl-N-phenyl-ethanamide Openeye Name: N-(cyanomethyl)-2-(2,5-dimethylphenyl)sulfanyl-N-phenyl-acetamide CAS Name: N-(cyanomethyl)-2-[(2,5-dimethylphenyl)thio]-N-phenylacetamide IUPAC Name: N-(cyanomethyl)-2-(2,5-dimethylphenyl)sulfanyl-N-phenylacetamide Traditional Name: N-(cyanomethyl)-2-[(2,5-dimethylphenyl)thio]-N-phenyl-acetamide Formula: C18H18N2OS MolecularWeight: 310.41332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC(=O)N(CC#N)C2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC(=O)N(CC#N)C2=CC=CC=C2

InChI

InChI=1S/C18H18N2OS/c1-14-8-9-15(2)17(12-14)22-13-18(21)20(11-10-19)16-6-4-3-5-7-16/h3-9,12H,11,13H2,1-2H3