(E)-3-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-2-cyano-N-(4-methoxyphenyl)prop-2-enamide

Systemtic Name: (E)-3-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-2-cyano-N-(4-methoxyphenyl)prop-2-enamide Openeye Name: (E)-3-[5-(1H-benzimidazol-2-ylsulfanyl)-2-furyl]-2-cyano-N-(4-methoxyphenyl)prop-2-enamide CAS Name: (E)-3-[5-(1H-benzimidazol-2-ylthio)-2-furanyl]-2-cyano-N-(4-methoxyphenyl)-2-propenamide IUPAC Name: (E)-3-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-2-cyano-N-(4-methoxyphenyl)prop-2-enamide Traditional Name: (E)-3-[5-(1H-benzimidazol-2-ylthio)-2-furyl]-2-cyano-N-(4-methoxyphenyl)acrylamide Formula: C22H16N4O3S MolecularWeight: 416.45244

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C(=CC2=CC=C(O2)SC3=NC4=CC=CC=C4N3)C#N

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)/C(=C/C2=CC=C(O2)SC3=NC4=CC=CC=C4N3)/C#N

InChI

InChI=1S/C22H16N4O3S/c1-28-16-8-6-15(7-9-16)24-21(27)14(13-23)12-17-10-11-20(29-17)30-22-25-18-4-2-3-5-19(18)26-22/h2-12H,1H3,(H,24,27)(H,25,26)/b14-12+