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

Systemtic Name: 2-[[4-cyclohexyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone Openeye Name: 2-[(5-benzyl-4-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone CAS Name: 2-[[4-cyclohexyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-[4-(4-fluorophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(5-benzyl-4-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone Traditional Name: 2-[(5-benzyl-4-cyclohexyl-1,2,4-triazol-3-yl)thio]-1-[4-(4-fluorophenyl)piperazino]ethanone Formula: C27H32FN5OS MolecularWeight: 493.639283

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)F)CC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)F)CC5=CC=CC=C5

InChI

InChI=1S/C27H32FN5OS/c28-22-11-13-23(14-12-22)31-15-17-32(18-16-31)26(34)20-35-27-30-29-25(19-21-7-3-1-4-8-21)33(27)24-9-5-2-6-10-24/h1,3-4,7-8,11-14,24H,2,5-6,9-10,15-20H2