4-[2-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-1-cyano-ethenyl]benzoic acid

Systemtic Name: 4-[2-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-1-cyano-ethenyl]benzoic acid Openeye Name: 4-[2-[5-(1H-benzimidazol-2-ylsulfanyl)-2-furyl]-1-cyano-vinyl]benzoic acid CAS Name: 4-[2-[5-(1H-benzimidazol-2-ylthio)-2-furanyl]-1-cyanoethenyl]benzoic acid IUPAC Name: 4-[2-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-1-cyanoethenyl]benzoic acid Traditional Name: 4-[2-[5-(1H-benzimidazol-2-ylthio)-2-furyl]-1-cyano-vinyl]benzoic acid Formula: C21H13N3O3S MolecularWeight: 387.41122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SC3=CC=C(O3)C=C(C#N)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SC3=CC=C(O3)C=C(C#N)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H13N3O3S/c22-12-15(13-5-7-14(8-6-13)20(25)26)11-16-9-10-19(27-16)28-21-23-17-3-1-2-4-18(17)24-21/h1-11H,(H,23,24)(H,25,26)