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

Systemtic Name: (E)-2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)carbonyl-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]prop-2-enenitrile Openeye Name: (E)-2-(1-allyl-2,5-dimethyl-pyrrole-3-carbonyl)-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]prop-2-enenitrile CAS Name: (E)-2-[(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-oxomethyl]-3-[4-[(1-methyl-2-imidazolyl)thio]-3-nitrophenyl]-2-propenenitrile IUPAC Name: (E)-2-(2,5-dimethyl-1-prop-2-enylpyrrole-3-carbonyl)-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]prop-2-enenitrile Traditional Name: (E)-2-(1-allyl-2,5-dimethyl-pyrrole-3-carbonyl)-3-[4-[(1-methylimidazol-2-yl)thio]-3-nitro-phenyl]acrylonitrile Formula: C23H21N5O3S MolecularWeight: 447.50954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)C(=CC2=CC(=C(C=C2)SC3=NC=CN3C)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)/C(=C/C2=CC(=C(C=C2)SC3=NC=CN3C)[N+](=O)[O-])/C#N

InChI

InChI=1S/C23H21N5O3S/c1-5-9-27-15(2)11-19(16(27)3)22(29)18(14-24)12-17-6-7-21(20(13-17)28(30)31)32-23-25-8-10-26(23)4/h5-8,10-13H,1,9H2,2-4H3/b18-12+