(E)-2-cyano-N-cyclohexyl-3-[2,5-dimethyl-1-[4-(4-nitrophenyl)sulfanylphenyl]pyrrol-3-yl]prop-2-enamide

Systemtic Name: (E)-2-cyano-N-cyclohexyl-3-[2,5-dimethyl-1-[4-(4-nitrophenyl)sulfanylphenyl]pyrrol-3-yl]prop-2-enamide Openeye Name: (E)-2-cyano-N-cyclohexyl-3-[2,5-dimethyl-1-[4-(4-nitrophenyl)sulfanylphenyl]pyrrol-3-yl]prop-2-enamide CAS Name: (E)-2-cyano-N-cyclohexyl-3-[2,5-dimethyl-1-[4-[(4-nitrophenyl)thio]phenyl]-3-pyrrolyl]-2-propenamide IUPAC Name: (E)-2-cyano-N-cyclohexyl-3-[2,5-dimethyl-1-[4-(4-nitrophenyl)sulfanylphenyl]pyrrol-3-yl]prop-2-enamide Traditional Name: (E)-2-cyano-N-cyclohexyl-3-[2,5-dimethyl-1-[4-[(4-nitrophenyl)thio]phenyl]pyrrol-3-yl]acrylamide Formula: C28H28N4O3S MolecularWeight: 500.61192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)SC3=CC=C(C=C3)[N+](=O)[O-])C)C=C(C#N)C(=O)NC4CCCCC4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)SC3=CC=C(C=C3)[N+](=O)[O-])C)/C=C(\C#N)/C(=O)NC4CCCCC4

InChI

InChI=1S/C28H28N4O3S/c1-19-16-21(17-22(18-29)28(33)30-23-6-4-3-5-7-23)20(2)31(19)24-8-12-26(13-9-24)36-27-14-10-25(11-15-27)32(34)35/h8-17,23H,3-7H2,1-2H3,(H,30,33)/b22-17+