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

Systemtic Name: 2-cyano-N-(3-methoxyphenyl)-3-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]prop-2-enamide Openeye Name: 2-cyano-N-(3-methoxyphenyl)-3-[3-nitro-4-(p-tolylsulfanyl)phenyl]prop-2-enamide CAS Name: 2-cyano-N-(3-methoxyphenyl)-3-[4-[(4-methylphenyl)thio]-3-nitrophenyl]-2-propenamide IUPAC Name: 2-cyano-N-(3-methoxyphenyl)-3-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]prop-2-enamide Traditional Name: 2-cyano-N-(3-methoxyphenyl)-3-[3-nitro-4-(p-tolylthio)phenyl]acrylamide Formula: C24H19N3O4S MolecularWeight: 445.49036

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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=CC(=CC=C3)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C24H19N3O4S/c1-16-6-9-21(10-7-16)32-23-11-8-17(13-22(23)27(29)30)12-18(15-25)24(28)26-19-4-3-5-20(14-19)31-2/h3-14H,1-2H3,(H,26,28)