2-[(4-cyclohexyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone

Systemtic Name: 2-[(4-cyclohexyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone Openeye Name: 2-[[4-cyclohexyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[(2R)-2-methyl-1-piperidyl]ethanone CAS Name: 2-[[4-cyclohexyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-[(2R)-2-methyl-1-piperidinyl]ethanone IUPAC Name: 2-[(4-cyclohexyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone Traditional Name: 2-[[4-cyclohexyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-1-[(2R)-2-methylpiperidino]ethanone Formula: C21H29N5OS MolecularWeight: 399.55286

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)CSC2=NN=C(N2C3CCCCC3)C4=CN=CC=C4

Isomeric SMILES

C[C@@H]1CCCCN1C(=O)CSC2=NN=C(N2C3CCCCC3)C4=CN=CC=C4

InChI

InChI=1S/C21H29N5OS/c1-16-8-5-6-13-25(16)19(27)15-28-21-24-23-20(17-9-7-12-22-14-17)26(21)18-10-3-2-4-11-18/h7,9,12,14,16,18H,2-6,8,10-11,13,15H2,1H3/t16-/m1/s1