2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[[4-cyclohexyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(2-pyridyl)piperazin-1-yl]ethanone CAS Name: 2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-1-[4-(2-pyridinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[[4-cyclohexyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]-1-[4-(2-pyridyl)piperazino]ethanone Formula: C24H30N6OS2 MolecularWeight: 482.6646

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC(=O)N3CCN(CC3)C4=CC=CC=N4)CC5=CC=CS5

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC(=O)N3CCN(CC3)C4=CC=CC=N4)CC5=CC=CS5

InChI

InChI=1S/C24H30N6OS2/c31-23(29-14-12-28(13-15-29)21-10-4-5-11-25-21)18-33-24-27-26-22(17-20-9-6-16-32-20)30(24)19-7-2-1-3-8-19/h4-6,9-11,16,19H,1-3,7-8,12-15,17-18H2