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

Systemtic Name: 5-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-[3-methyl-4-(2-thiophen-2-ylethanoyl)piperazin-1-yl]pentan-1-one Openeye Name: 1-[3-methyl-4-[2-(2-thienyl)acetyl]piperazin-1-yl]-5-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]pentan-1-one CAS Name: 1-[3-methyl-4-(1-oxo-2-thiophen-2-ylethyl)-1-piperazinyl]-5-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-pentanone IUPAC Name: 5-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-[3-methyl-4-(2-thiophen-2-ylacetyl)piperazin-1-yl]pentan-1-one Traditional Name: 1-[3-methyl-4-[2-(2-thienyl)acetyl]piperazino]-5-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]pentan-1-one Formula: C31H35N5O2S2 MolecularWeight: 573.7719

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)CC2=CC=CS2)C(=O)CCCCSC3=NN=C(N3C4=CC=C(C=C4)C)C5=CC=CC=C5

Isomeric SMILES

CC1CN(CCN1C(=O)CC2=CC=CS2)C(=O)CCCCSC3=NN=C(N3C4=CC=C(C=C4)C)C5=CC=CC=C5

InChI

InChI=1S/C31H35N5O2S2/c1-23-13-15-26(16-14-23)36-30(25-9-4-3-5-10-25)32-33-31(36)40-19-7-6-12-28(37)34-17-18-35(24(2)22-34)29(38)21-27-11-8-20-39-27/h3-5,8-11,13-16,20,24H,6-7,12,17-19,21-22H2,1-2H3