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

Systemtic Name: 1-[3-methyl-4-(4-pentylphenyl)carbonyl-piperazin-1-yl]-5-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentan-1-one Openeye Name: 1-[3-methyl-4-(4-pentylbenzoyl)piperazin-1-yl]-5-[[4-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]pentan-1-one CAS Name: 1-[3-methyl-4-[oxo-(4-pentylphenyl)methyl]-1-piperazinyl]-5-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-pentanone IUPAC Name: 1-[3-methyl-4-(4-pentylbenzoyl)piperazin-1-yl]-5-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentan-1-one Traditional Name: 1-[4-(4-amylbenzoyl)-3-methyl-piperazino]-5-[[4-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]pentan-1-one Formula: C37H45N5O2S MolecularWeight: 623.8505

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2C)C(=O)CCCCSC3=NN=C(N3C4=CC=CC=C4)C5=CC=C(C=C5)C

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2C)C(=O)CCCCSC3=NN=C(N3C4=CC=CC=C4)C5=CC=C(C=C5)C

InChI

InChI=1S/C37H45N5O2S/c1-4-5-7-12-30-18-22-32(23-19-30)36(44)41-25-24-40(27-29(41)3)34(43)15-10-11-26-45-37-39-38-35(31-20-16-28(2)17-21-31)42(37)33-13-8-6-9-14-33/h6,8-9,13-14,16-23,29H,4-5,7,10-12,15,24-27H2,1-3H3