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

Systemtic Name: (E)-2-cyano-N-(furan-2-ylmethyl)-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]prop-2-enamide Openeye Name: (E)-2-cyano-N-(2-furylmethyl)-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]prop-2-enamide CAS Name: (E)-2-cyano-N-(2-furanylmethyl)-3-[4-[(1-methyl-2-imidazolyl)thio]-3-nitrophenyl]-2-propenamide IUPAC Name: (E)-2-cyano-N-(furan-2-ylmethyl)-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]prop-2-enamide Traditional Name: (E)-2-cyano-N-(2-furfuryl)-3-[4-[(1-methylimidazol-2-yl)thio]-3-nitro-phenyl]acrylamide Formula: C19H15N5O4S MolecularWeight: 409.4185

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SC2=C(C=C(C=C2)C=C(C#N)C(=O)NCC3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

CN1C=CN=C1SC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)NCC3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C19H15N5O4S/c1-23-7-6-21-19(23)29-17-5-4-13(10-16(17)24(26)27)9-14(11-20)18(25)22-12-15-3-2-8-28-15/h2-10H,12H2,1H3,(H,22,25)/b14-9+