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

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-[5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-[5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 2-(1H-benzimidazol-2-ylthio)-1-[5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-[5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 2-(1H-benzimidazol-2-ylthio)-1-[3-(4-bromophenyl)-5-(4-methoxyphenyl)-2-pyrazolin-1-yl]ethanone Formula: C25H21BrN4O2S MolecularWeight: 521.42884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21BrN4O2S/c1-32-19-12-8-17(9-13-19)23-14-22(16-6-10-18(26)11-7-16)29-30(23)24(31)15-33-25-27-20-4-2-3-5-21(20)28-25/h2-13,23H,14-15H2,1H3,(H,27,28)