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

Systemtic Name: 1-(4-cyclohexylcarbonyl-3-methyl-piperazin-1-yl)-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-[4-(cyclohexanecarbonyl)-3-methyl-piperazin-1-yl]-2-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-[4-[cyclohexyl(oxo)methyl]-3-methyl-1-piperazinyl]-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-[4-(cyclohexanecarbonyl)-3-methylpiperazin-1-yl]-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-[4-(cyclohexanecarbonyl)-3-methyl-piperazino]-2-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C26H31N5O2S2 MolecularWeight: 509.68664

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2CCCCC2)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

CC1CN(CCN1C(=O)C2CCCCC2)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C26H31N5O2S2/c1-19-17-29(14-15-30(19)25(33)20-9-4-2-5-10-20)23(32)18-35-26-28-27-24(22-13-8-16-34-22)31(26)21-11-6-3-7-12-21/h3,6-8,11-13,16,19-20H,2,4-5,9-10,14-15,17-18H2,1H3