(E)-N-[2-(2-cyanoethylsulfanyl)phenyl]-3-(5-nitrothiophen-2-yl)prop-2-enamide

Systemtic Name: (E)-N-[2-(2-cyanoethylsulfanyl)phenyl]-3-(5-nitrothiophen-2-yl)prop-2-enamide Openeye Name: (E)-N-[2-(2-cyanoethylsulfanyl)phenyl]-3-(5-nitro-2-thienyl)prop-2-enamide CAS Name: (E)-N-[2-(2-cyanoethylthio)phenyl]-3-(5-nitro-2-thiophenyl)-2-propenamide IUPAC Name: (E)-N-[2-(2-cyanoethylsulfanyl)phenyl]-3-(5-nitrothiophen-2-yl)prop-2-enamide Traditional Name: (E)-N-[2-(2-cyanoethylthio)phenyl]-3-(5-nitro-2-thienyl)acrylamide Formula: C16H13N3O3S2 MolecularWeight: 359.42272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)C=CC2=CC=C(S2)[N+](=O)[O-])SCCC#N

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)/C=C/C2=CC=C(S2)[N+](=O)[O-])SCCC#N

InChI

InChI=1S/C16H13N3O3S2/c17-10-3-11-23-14-5-2-1-4-13(14)18-15(20)8-6-12-7-9-16(24-12)19(21)22/h1-2,4-9H,3,11H2,(H,18,20)/b8-6+