(E)-2-cyano-N-(2,6-dimethylphenyl)-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(2,6-dimethylphenyl)-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]prop-2-enamide Openeye Name: (E)-2-cyano-N-(2,6-dimethylphenyl)-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]prop-2-enamide CAS Name: (E)-2-cyano-N-(2,6-dimethylphenyl)-3-[4-[(1-methyl-2-imidazolyl)thio]-3-nitrophenyl]-2-propenamide IUPAC Name: (E)-2-cyano-N-(2,6-dimethylphenyl)-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]prop-2-enamide Traditional Name: (E)-2-cyano-N-(2,6-dimethylphenyl)-3-[4-[(1-methylimidazol-2-yl)thio]-3-nitro-phenyl]acrylamide Formula: C22H19N5O3S MolecularWeight: 433.48296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C(=CC2=CC(=C(C=C2)SC3=NC=CN3C)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)/C(=C/C2=CC(=C(C=C2)SC3=NC=CN3C)[N+](=O)[O-])/C#N

InChI

InChI=1S/C22H19N5O3S/c1-14-5-4-6-15(2)20(14)25-21(28)17(13-23)11-16-7-8-19(18(12-16)27(29)30)31-22-24-9-10-26(22)3/h4-12H,1-3H3,(H,25,28)/b17-11+