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

Systemtic Name: N-[2-(2-cyanoethylsulfanyl)phenyl]-4-nitro-benzamide Openeye Name: N-[2-(2-cyanoethylsulfanyl)phenyl]-4-nitro-benzamide CAS Name: N-[2-(2-cyanoethylthio)phenyl]-4-nitrobenzamide IUPAC Name: N-[2-(2-cyanoethylsulfanyl)phenyl]-4-nitrobenzamide Traditional Name: N-[2-(2-cyanoethylthio)phenyl]-4-nitro-benzamide Formula: C16H13N3O3S MolecularWeight: 327.35772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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