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

Systemtic Name: 1-[3-methyl-4-(4-pentylphenyl)carbonyl-piperazin-1-yl]-4-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]butan-1-one Openeye Name: 1-[3-methyl-4-(4-pentylbenzoyl)piperazin-1-yl]-4-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]butan-1-one CAS Name: 1-[3-methyl-4-[oxo-(4-pentylphenyl)methyl]-1-piperazinyl]-4-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-butanone IUPAC Name: 1-[3-methyl-4-(4-pentylbenzoyl)piperazin-1-yl]-4-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]butan-1-one Traditional Name: 1-[4-(4-amylbenzoyl)-3-methyl-piperazino]-4-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]butan-1-one Formula: C33H39N5O2S2 MolecularWeight: 601.82506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2C)C(=O)CCCSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2C)C(=O)CCCSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C33H39N5O2S2/c1-3-4-6-11-26-16-18-27(19-17-26)32(40)37-21-20-36(24-25(37)2)30(39)15-10-23-42-33-35-34-31(29-14-9-22-41-29)38(33)28-12-7-5-8-13-28/h5,7-9,12-14,16-19,22,25H,3-4,6,10-11,15,20-21,23-24H2,1-2H3