(E)-N-(3-chloranyl-2-methyl-phenyl)-2-cyano-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]prop-2-enamide

Systemtic Name: (E)-N-(3-chloranyl-2-methyl-phenyl)-2-cyano-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]prop-2-enamide Openeye Name: (E)-N-(3-chloro-2-methyl-phenyl)-2-cyano-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]prop-2-enamide CAS Name: (E)-N-(3-chloro-2-methylphenyl)-2-cyano-3-[4-[(1-methyl-2-imidazolyl)thio]-3-nitrophenyl]-2-propenamide IUPAC Name: (E)-N-(3-chloro-2-methylphenyl)-2-cyano-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]prop-2-enamide Traditional Name: (E)-N-(3-chloro-2-methyl-phenyl)-2-cyano-3-[4-[(1-methylimidazol-2-yl)thio]-3-nitro-phenyl]acrylamide Formula: C21H16ClN5O3S MolecularWeight: 453.90144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)C(=CC2=CC(=C(C=C2)SC3=NC=CN3C)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)/C(=C/C2=CC(=C(C=C2)SC3=NC=CN3C)[N+](=O)[O-])/C#N

InChI

InChI=1S/C21H16ClN5O3S/c1-13-16(22)4-3-5-17(13)25-20(28)15(12-23)10-14-6-7-19(18(11-14)27(29)30)31-21-24-8-9-26(21)2/h3-11H,1-2H3,(H,25,28)/b15-10+