(E)-2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)carbonyl-3-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]prop-2-enenitrile

Systemtic Name: (E)-2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)carbonyl-3-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]prop-2-enenitrile Openeye Name: (E)-2-(1-allyl-2,5-dimethyl-pyrrole-3-carbonyl)-3-[3-nitro-4-(p-tolylsulfanyl)phenyl]prop-2-enenitrile CAS Name: (E)-2-[(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-oxomethyl]-3-[4-[(4-methylphenyl)thio]-3-nitrophenyl]-2-propenenitrile IUPAC Name: (E)-2-(2,5-dimethyl-1-prop-2-enylpyrrole-3-carbonyl)-3-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]prop-2-enenitrile Traditional Name: (E)-2-(1-allyl-2,5-dimethyl-pyrrole-3-carbonyl)-3-[3-nitro-4-(p-tolylthio)phenyl]acrylonitrile Formula: C26H23N3O3S MolecularWeight: 457.54412

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

Isomeric SMILES

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

InChI

InChI=1S/C26H23N3O3S/c1-5-12-28-18(3)13-23(19(28)4)26(30)21(16-27)14-20-8-11-25(24(15-20)29(31)32)33-22-9-6-17(2)7-10-22/h5-11,13-15H,1,12H2,2-4H3/b21-14+