2-cyclopropyl-1-[4-[1-(2-ethylphenyl)-5-(4-methylsulfanylphenyl)pyrazol-3-yl]carbonylpiperazin-1-yl]ethanone

Systemtic Name: 2-cyclopropyl-1-[4-[1-(2-ethylphenyl)-5-(4-methylsulfanylphenyl)pyrazol-3-yl]carbonylpiperazin-1-yl]ethanone Openeye Name: 2-cyclopropyl-1-[4-[1-(2-ethylphenyl)-5-(4-methylsulfanylphenyl)pyrazole-3-carbonyl]piperazin-1-yl]ethanone CAS Name: 2-cyclopropyl-1-[4-[[1-(2-ethylphenyl)-5-[4-(methylthio)phenyl]-3-pyrazolyl]-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 2-cyclopropyl-1-[4-[1-(2-ethylphenyl)-5-(4-methylsulfanylphenyl)pyrazole-3-carbonyl]piperazin-1-yl]ethanone Traditional Name: 2-cyclopropyl-1-[4-[1-(2-ethylphenyl)-5-[4-(methylthio)phenyl]pyrazole-3-carbonyl]piperazino]ethanone Formula: C28H32N4O2S MolecularWeight: 488.64428

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C(=CC(=N2)C(=O)N3CCN(CC3)C(=O)CC4CC4)C5=CC=C(C=C5)SC

Isomeric SMILES

CCC1=CC=CC=C1N2C(=CC(=N2)C(=O)N3CCN(CC3)C(=O)CC4CC4)C5=CC=C(C=C5)SC

InChI

InChI=1S/C28H32N4O2S/c1-3-21-6-4-5-7-25(21)32-26(22-10-12-23(35-2)13-11-22)19-24(29-32)28(34)31-16-14-30(15-17-31)27(33)18-20-8-9-20/h4-7,10-13,19-20H,3,8-9,14-18H2,1-2H3