2-(1H-benzimidazol-2-ylsulfanyl)-1-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-[3-(3,4-dimethoxyphenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 2-(1H-benzimidazol-2-ylthio)-1-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 2-(1H-benzimidazol-2-ylthio)-1-[5-(3,4-dimethoxyphenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]ethanone Formula: C24H22N4O3S2 MolecularWeight: 478.58648

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CC(=NN2C(=O)CSC3=NC4=CC=CC=C4N3)C5=CC=CS5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2CC(=NN2C(=O)CSC3=NC4=CC=CC=C4N3)C5=CC=CS5)OC

InChI

InChI=1S/C24H22N4O3S2/c1-30-20-10-9-15(12-21(20)31-2)19-13-18(22-8-5-11-32-22)27-28(19)23(29)14-33-24-25-16-6-3-4-7-17(16)26-24/h3-12,19H,13-14H2,1-2H3,(H,25,26)