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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CSC2=NN=C(N2C3CCCCC3)C4=CN=CC=C4

Isomeric SMILES

C[C@@H]1CCCN(C1)C(=O)CSC2=NN=C(N2C3CCCCC3)C4=CN=CC=C4

InChI

InChI=1S/C21H29N5OS/c1-16-7-6-12-25(14-16)19(27)15-28-21-24-23-20(17-8-5-11-22-13-17)26(21)18-9-3-2-4-10-18/h5,8,11,13,16,18H,2-4,6-7,9-10,12,14-15H2,1H3/t16-/m1/s1