(E)-3-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-5-methoxy-4-oxidanyl-phenyl]-2-cyano-prop-2-enamide

Systemtic Name: (E)-3-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-5-methoxy-4-oxidanyl-phenyl]-2-cyano-prop-2-enamide Openeye Name: (E)-3-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-hydroxy-5-methoxy-phenyl]-2-cyano-prop-2-enamide CAS Name: (E)-3-[3-[(1H-benzimidazol-2-ylthio)methyl]-4-hydroxy-5-methoxyphenyl]-2-cyano-2-propenamide IUPAC Name: (E)-3-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-hydroxy-5-methoxyphenyl]-2-cyanoprop-2-enamide Traditional Name: (E)-3-[3-[(1H-benzimidazol-2-ylthio)methyl]-4-hydroxy-5-methoxy-phenyl]-2-cyano-acrylamide Formula: C19H16N4O3S MolecularWeight: 380.42034

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)CSC2=NC3=CC=CC=C3N2)C=C(C#N)C(=O)N

Isomeric SMILES

COC1=CC(=CC(=C1O)CSC2=NC3=CC=CC=C3N2)/C=C(\C#N)/C(=O)N

InChI

InChI=1S/C19H16N4O3S/c1-26-16-8-11(6-12(9-20)18(21)25)7-13(17(16)24)10-27-19-22-14-4-2-3-5-15(14)23-19/h2-8,24H,10H2,1H3,(H2,21,25)(H,22,23)/b12-6+