(E)-3-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-2-(phenylcarbonyl)prop-2-enenitrile

Systemtic Name: (E)-3-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-2-(phenylcarbonyl)prop-2-enenitrile Openeye Name: (E)-3-[5-(1H-benzimidazol-2-ylsulfanyl)-2-furyl]-2-benzoyl-prop-2-enenitrile CAS Name: (E)-3-[5-(1H-benzimidazol-2-ylthio)-2-furanyl]-2-benzoyl-2-propenenitrile IUPAC Name: (E)-3-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-2-benzoylprop-2-enenitrile Traditional Name: (E)-3-[5-(1H-benzimidazol-2-ylthio)-2-furyl]-2-benzoyl-acrylonitrile Formula: C21H13N3O2S MolecularWeight: 371.41182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H13N3O2S/c22-13-15(20(25)14-6-2-1-3-7-14)12-16-10-11-19(26-16)27-21-23-17-8-4-5-9-18(17)24-21/h1-12H,(H,23,24)/b15-12+