5-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-[3-methyl-4-(2-methylphenyl)carbonyl-piperazin-1-yl]pentan-1-one

Systemtic Name: 5-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-[3-methyl-4-(2-methylphenyl)carbonyl-piperazin-1-yl]pentan-1-one Openeye Name: 5-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-[3-methyl-4-(2-methylbenzoyl)piperazin-1-yl]pentan-1-one CAS Name: 5-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-[3-methyl-4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]-1-pentanone IUPAC Name: 5-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-[3-methyl-4-(2-methylbenzoyl)piperazin-1-yl]pentan-1-one Traditional Name: 5-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-(3-methyl-4-o-toluoyl-piperazino)pentan-1-one Formula: C33H37N5O3S MolecularWeight: 583.74358

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC=CC=C2C)C(=O)CCCCSC3=NN=C(N3C4=CC=C(C=C4)OC)C5=CC=CC=C5

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC=CC=C2C)C(=O)CCCCSC3=NN=C(N3C4=CC=C(C=C4)OC)C5=CC=CC=C5

InChI

InChI=1S/C33H37N5O3S/c1-24-11-7-8-14-29(24)32(40)37-21-20-36(23-25(37)2)30(39)15-9-10-22-42-33-35-34-31(26-12-5-4-6-13-26)38(33)27-16-18-28(41-3)19-17-27/h4-8,11-14,16-19,25H,9-10,15,20-23H2,1-3H3