2-[[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[3-methyl-4-(2-phenylcyclopropyl)carbonyl-piperazin-1-yl]ethanone

Systemtic Name: 2-[[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[3-methyl-4-(2-phenylcyclopropyl)carbonyl-piperazin-1-yl]ethanone Openeye Name: 2-[[4-(4-methoxyphenyl)-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[3-methyl-4-(2-phenylcyclopropanecarbonyl)piperazin-1-yl]ethanone CAS Name: 2-[[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-[3-methyl-4-[oxo-(2-phenylcyclopropyl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-[[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[3-methyl-4-(2-phenylcyclopropanecarbonyl)piperazin-1-yl]ethanone Traditional Name: 2-[[4-(4-methoxyphenyl)-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]-1-[3-methyl-4-(2-phenylcyclopropanecarbonyl)piperazino]ethanone Formula: C33H35N5O3S MolecularWeight: 581.7277

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2CC2C3=CC=CC=C3)C(=O)CSC4=NN=C(N4C5=CC=C(C=C5)OC)C6=CC=C(C=C6)C

Isomeric SMILES

CC1CN(CCN1C(=O)C2CC2C3=CC=CC=C3)C(=O)CSC4=NN=C(N4C5=CC=C(C=C5)OC)C6=CC=C(C=C6)C

InChI

InChI=1S/C33H35N5O3S/c1-22-9-11-25(12-10-22)31-34-35-33(38(31)26-13-15-27(41-3)16-14-26)42-21-30(39)36-17-18-37(23(2)20-36)32(40)29-19-28(29)24-7-5-4-6-8-24/h4-16,23,28-29H,17-21H2,1-3H3