2-cyano-3-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]-N-phenethyl-prop-2-enamide

Systemtic Name: 2-cyano-3-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]-N-phenethyl-prop-2-enamide Openeye Name: 2-cyano-3-[3-nitro-4-(p-tolylsulfanyl)phenyl]-N-phenethyl-prop-2-enamide CAS Name: 2-cyano-3-[4-[(4-methylphenyl)thio]-3-nitrophenyl]-N-phenethyl-2-propenamide IUPAC Name: 2-cyano-3-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]-N-phenethylprop-2-enamide Traditional Name: 2-cyano-3-[3-nitro-4-(p-tolylthio)phenyl]-N-phenethyl-acrylamide Formula: C25H21N3O3S MolecularWeight: 443.51754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C=C(C#N)C(=O)NCCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C=C(C#N)C(=O)NCCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H21N3O3S/c1-18-7-10-22(11-8-18)32-24-12-9-20(16-23(24)28(30)31)15-21(17-26)25(29)27-14-13-19-5-3-2-4-6-19/h2-12,15-16H,13-14H2,1H3,(H,27,29)