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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CSC2=NN=C(N2C3CCCCC3)C4=CN=CC=C4

Isomeric SMILES

CC1CCN(CC1)C(=O)CSC2=NN=C(N2C3CCCCC3)C4=CN=CC=C4

InChI

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