2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(phenylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(phenylmethyl)piperazin-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]-1-[4-(phenylmethyl)-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-benzylpiperazino)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C22H31N5OS MolecularWeight: 413.57944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CCCCC2)SCC(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN=C(N1C2CCCCC2)SCC(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H31N5OS/c1-18-23-24-22(27(18)20-10-6-3-7-11-20)29-17-21(28)26-14-12-25(13-15-26)16-19-8-4-2-5-9-19/h2,4-5,8-9,20H,3,6-7,10-17H2,1H3