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

Systemtic Name: 2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethanoylpiperazin-1-yl)ethanone Openeye Name: 1-(4-acetylpiperazin-1-yl)-2-[[4-cyclohexyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-acetyl-1-piperazinyl)-2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-acetylpiperazin-1-yl)-2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(4-acetylpiperazino)-2-[[4-cyclohexyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C21H29N5O2S2 MolecularWeight: 447.61726

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)CSC2=NN=C(N2C3CCCCC3)CC4=CC=CS4

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)CSC2=NN=C(N2C3CCCCC3)CC4=CC=CS4

InChI

InChI=1S/C21H29N5O2S2/c1-16(27)24-9-11-25(12-10-24)20(28)15-30-21-23-22-19(14-18-8-5-13-29-18)26(21)17-6-3-2-4-7-17/h5,8,13,17H,2-4,6-7,9-12,14-15H2,1H3