(Z)-2-cyano-N-(2,5-dimethylphenyl)-3-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]prop-2-enamide

Systemtic Name: (Z)-2-cyano-N-(2,5-dimethylphenyl)-3-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]prop-2-enamide Openeye Name: (Z)-2-cyano-N-(2,5-dimethylphenyl)-3-[3-nitro-4-(p-tolylsulfanyl)phenyl]prop-2-enamide CAS Name: (Z)-2-cyano-N-(2,5-dimethylphenyl)-3-[4-[(4-methylphenyl)thio]-3-nitrophenyl]-2-propenamide IUPAC Name: (Z)-2-cyano-N-(2,5-dimethylphenyl)-3-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]prop-2-enamide Traditional Name: (Z)-2-cyano-N-(2,5-dimethylphenyl)-3-[3-nitro-4-(p-tolylthio)phenyl]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)NC3=C(C=CC(=C3)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)/C=C(/C#N)\C(=O)NC3=C(C=CC(=C3)C)C)[N+](=O)[O-]

InChI

InChI=1S/C25H21N3O3S/c1-16-5-9-21(10-6-16)32-24-11-8-19(14-23(24)28(30)31)13-20(15-26)25(29)27-22-12-17(2)4-7-18(22)3/h4-14H,1-3H3,(H,27,29)/b20-13-