N-[4-(cyanomethyl)phenyl]-2-(4-nitrophenyl)sulfanyl-ethanamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-2-(4-nitrophenyl)sulfanyl-ethanamide Openeye Name: N-[4-(cyanomethyl)phenyl]-2-(4-nitrophenyl)sulfanyl-acetamide CAS Name: N-[4-(cyanomethyl)phenyl]-2-[(4-nitrophenyl)thio]acetamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-2-(4-nitrophenyl)sulfanylacetamide Traditional Name: N-[4-(cyanomethyl)phenyl]-2-[(4-nitrophenyl)thio]acetamide Formula: C16H13N3O3S MolecularWeight: 327.35772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC#N)NC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CC#N)NC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O3S/c17-10-9-12-1-3-13(4-2-12)18-16(20)11-23-15-7-5-14(6-8-15)19(21)22/h1-8H,9,11H2,(H,18,20)