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

Systemtic Name: (E)-2-cyano-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]prop-2-enamide Openeye Name: (E)-2-cyano-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]prop-2-enamide CAS Name: (E)-2-cyano-3-[4-[(1-methyl-2-imidazolyl)thio]-3-nitrophenyl]-2-propenamide IUPAC Name: (E)-2-cyano-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]prop-2-enamide Traditional Name: (E)-2-cyano-3-[4-[(1-methylimidazol-2-yl)thio]-3-nitro-phenyl]acrylamide Formula: C14H11N5O3S MolecularWeight: 329.33384

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SC2=C(C=C(C=C2)C=C(C#N)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CN1C=CN=C1SC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C14H11N5O3S/c1-18-5-4-17-14(18)23-12-3-2-9(7-11(12)19(21)22)6-10(8-15)13(16)20/h2-7H,1H3,(H2,16,20)/b10-6+