1-[4-[2-[[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]-2-methyl-piperazin-1-yl]-3,5,5-trimethyl-hexan-1-one

Systemtic Name: 1-[4-[2-[[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]-2-methyl-piperazin-1-yl]-3,5,5-trimethyl-hexan-1-one Openeye Name: 1-[4-[2-[[4-(4-methoxyphenyl)-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-methyl-piperazin-1-yl]-3,5,5-trimethyl-hexan-1-one CAS Name: 1-[4-[2-[[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-2-methyl-1-piperazinyl]-3,5,5-trimethyl-1-hexanone IUPAC Name: 1-[4-[2-[[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-methylpiperazin-1-yl]-3,5,5-trimethylhexan-1-one Traditional Name: 1-[4-[2-[[4-(4-methoxyphenyl)-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]acetyl]-2-methyl-piperazino]-3,5,5-trimethyl-hexan-1-one Formula: C32H43N5O3S MolecularWeight: 577.78052

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)CC(C)CC(C)(C)C)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OC)C4=CC=C(C=C4)C

Isomeric SMILES

CC1CN(CCN1C(=O)CC(C)CC(C)(C)C)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OC)C4=CC=C(C=C4)C

InChI

InChI=1S/C32H43N5O3S/c1-22-8-10-25(11-9-22)30-33-34-31(37(30)26-12-14-27(40-7)15-13-26)41-21-29(39)35-16-17-36(24(3)20-35)28(38)18-23(2)19-32(4,5)6/h8-15,23-24H,16-21H2,1-7H3