(E)-2-cyano-3-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]-N-(1-phenylethyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]-N-(1-phenylethyl)prop-2-enamide Openeye Name: (E)-2-cyano-3-[3-nitro-4-(p-tolylsulfanyl)phenyl]-N-(1-phenylethyl)prop-2-enamide CAS Name: (E)-2-cyano-3-[4-[(4-methylphenyl)thio]-3-nitrophenyl]-N-(1-phenylethyl)-2-propenamide IUPAC Name: (E)-2-cyano-3-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]-N-(1-phenylethyl)prop-2-enamide Traditional Name: (E)-2-cyano-3-[3-nitro-4-(p-tolylthio)phenyl]-N-(1-phenylethyl)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)NC(C)C3=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)NC(C)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H21N3O3S/c1-17-8-11-22(12-9-17)32-24-13-10-19(15-23(24)28(30)31)14-21(16-26)25(29)27-18(2)20-6-4-3-5-7-20/h3-15,18H,1-2H3,(H,27,29)/b21-14+