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

Systemtic Name: 1-(4-butanoyl-3-methyl-piperazin-1-yl)-5-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentan-1-one Openeye Name: 1-(4-butanoyl-3-methyl-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-oxobutyl)-1-piperazinyl]-5-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-pentanone IUPAC Name: 1-(4-butanoyl-3-methylpiperazin-1-yl)-5-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentan-1-one Traditional Name: 1-(4-butyryl-3-methyl-piperazino)-5-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]pentan-1-one Formula: C29H37N5O2S MolecularWeight: 519.70138

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1C)C(=O)CCCCSC2=NN=C(N2C3=CC=C(C=C3)C)C4=CC=CC=C4

Isomeric SMILES

CCCC(=O)N1CCN(CC1C)C(=O)CCCCSC2=NN=C(N2C3=CC=C(C=C3)C)C4=CC=CC=C4

InChI

InChI=1S/C29H37N5O2S/c1-4-10-27(36)33-19-18-32(21-23(33)3)26(35)13-8-9-20-37-29-31-30-28(24-11-6-5-7-12-24)34(29)25-16-14-22(2)15-17-25/h5-7,11-12,14-17,23H,4,8-10,13,18-21H2,1-3H3