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

Systemtic Name: 2-[[5-cyclohexyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[(4-benzyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[5-cyclohexyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[(4-benzyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[(4-benzyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-1-piperidino-ethanone Formula: C22H30N4OS MolecularWeight: 398.5648

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN=C(N2CC3=CC=CC=C3)SCC(=O)N4CCCCC4

Isomeric SMILES

C1CCC(CC1)C2=NN=C(N2CC3=CC=CC=C3)SCC(=O)N4CCCCC4

InChI

InChI=1S/C22H30N4OS/c27-20(25-14-8-3-9-15-25)17-28-22-24-23-21(19-12-6-2-7-13-19)26(22)16-18-10-4-1-5-11-18/h1,4-5,10-11,19H,2-3,6-9,12-17H2