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

Systemtic Name: 5-[[4-(4-methoxyphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[3-methyl-4-(4-pentylphenyl)carbonyl-piperazin-1-yl]pentan-1-one Openeye Name: 5-[[5-benzyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[3-methyl-4-(4-pentylbenzoyl)piperazin-1-yl]pentan-1-one CAS Name: 5-[[4-(4-methoxyphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-[3-methyl-4-[oxo-(4-pentylphenyl)methyl]-1-piperazinyl]-1-pentanone IUPAC Name: 5-[[5-benzyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[3-methyl-4-(4-pentylbenzoyl)piperazin-1-yl]pentan-1-one Traditional Name: 1-[4-(4-amylbenzoyl)-3-methyl-piperazino]-5-[[5-benzyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]pentan-1-one Formula: C38H47N5O3S MolecularWeight: 653.87648

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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=C(C=C4)OC)CC5=CC=CC=C5

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2C)C(=O)CCCCSC3=NN=C(N3C4=CC=C(C=C4)OC)CC5=CC=CC=C5

InChI

InChI=1S/C38H47N5O3S/c1-4-5-7-12-30-16-18-32(19-17-30)37(45)42-25-24-41(28-29(42)2)36(44)15-10-11-26-47-38-40-39-35(27-31-13-8-6-9-14-31)43(38)33-20-22-34(46-3)23-21-33/h6,8-9,13-14,16-23,29H,4-5,7,10-12,15,24-28H2,1-3H3