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

Systemtic Name: 2-cyano-N-cyclopropyl-3-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]prop-2-enamide Openeye Name: 2-cyano-N-cyclopropyl-3-[3-nitro-4-(p-tolylsulfanyl)phenyl]prop-2-enamide CAS Name: 2-cyano-N-cyclopropyl-3-[4-[(4-methylphenyl)thio]-3-nitrophenyl]-2-propenamide IUPAC Name: 2-cyano-N-cyclopropyl-3-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]prop-2-enamide Traditional Name: 2-cyano-N-cyclopropyl-3-[3-nitro-4-(p-tolylthio)phenyl]acrylamide Formula: C20H17N3O3S MolecularWeight: 379.43228

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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)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C=C(C#N)C(=O)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O3S/c1-13-2-7-17(8-3-13)27-19-9-4-14(11-18(19)23(25)26)10-15(12-21)20(24)22-16-5-6-16/h2-4,7-11,16H,5-6H2,1H3,(H,22,24)