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

Systemtic Name: 1-[3-methyl-4-(4-pentylphenyl)carbonyl-piperazin-1-yl]-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-[3-methyl-4-(4-pentylbenzoyl)piperazin-1-yl]-2-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-[3-methyl-4-[oxo-(4-pentylphenyl)methyl]-1-piperazinyl]-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-[3-methyl-4-(4-pentylbenzoyl)piperazin-1-yl]-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-[4-(4-amylbenzoyl)-3-methyl-piperazino]-2-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C31H35N5O2S2 MolecularWeight: 573.7719

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2C)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2C)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C31H35N5O2S2/c1-3-4-6-10-24-14-16-25(17-15-24)30(38)35-19-18-34(21-23(35)2)28(37)22-40-31-33-32-29(27-13-9-20-39-27)36(31)26-11-7-5-8-12-26/h5,7-9,11-17,20,23H,3-4,6,10,18-19,21-22H2,1-2H3