1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanone

Systemtic Name: 1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanone Openeye Name: 1-[3,5-bis(2-furyl)-3,4-dihydropyrazol-2-yl]-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanone CAS Name: 1-[3,5-bis(2-furanyl)-3,4-dihydropyrazol-2-yl]-2-[(6-methoxy-1H-benzimidazol-2-yl)thio]ethanone IUPAC Name: 1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanone Traditional Name: 1-[3,5-bis(2-furyl)-2-pyrazolin-1-yl]-2-[(6-methoxy-1H-benzimidazol-2-yl)thio]ethanone Formula: C21H18N4O4S MolecularWeight: 422.45702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N2)SCC(=O)N3C(CC(=N3)C4=CC=CO4)C5=CC=CO5

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N2)SCC(=O)N3C(CC(=N3)C4=CC=CO4)C5=CC=CO5

InChI

InChI=1S/C21H18N4O4S/c1-27-13-6-7-14-15(10-13)23-21(22-14)30-12-20(26)25-17(19-5-3-9-29-19)11-16(24-25)18-4-2-8-28-18/h2-10,17H,11-12H2,1H3,(H,22,23)