(E)-2-cyano-3-[4-methoxy-3-[(4-methylphenyl)sulfanylmethyl]phenyl]-N-(4-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-[4-methoxy-3-[(4-methylphenyl)sulfanylmethyl]phenyl]-N-(4-nitrophenyl)prop-2-enamide Openeye Name: (E)-2-cyano-3-[4-methoxy-3-(p-tolylsulfanylmethyl)phenyl]-N-(4-nitrophenyl)prop-2-enamide CAS Name: (E)-2-cyano-3-[4-methoxy-3-[[(4-methylphenyl)thio]methyl]phenyl]-N-(4-nitrophenyl)-2-propenamide IUPAC Name: (E)-2-cyano-3-[4-methoxy-3-[(4-methylphenyl)sulfanylmethyl]phenyl]-N-(4-nitrophenyl)prop-2-enamide Traditional Name: (E)-2-cyano-3-[4-methoxy-3-[(p-tolylthio)methyl]phenyl]-N-(4-nitrophenyl)acrylamide Formula: C25H21N3O4S MolecularWeight: 459.51694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=C(C=CC(=C2)C=C(C#N)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=C(C=CC(=C2)/C=C(\C#N)/C(=O)NC3=CC=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C25H21N3O4S/c1-17-3-10-23(11-4-17)33-16-20-14-18(5-12-24(20)32-2)13-19(15-26)25(29)27-21-6-8-22(9-7-21)28(30)31/h3-14H,16H2,1-2H3,(H,27,29)/b19-13+