2-[[4-[(1R,2S)-2-methylcyclohexyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone

Systemtic Name: 2-[[4-[(1R,2S)-2-methylcyclohexyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[4-[(1R,2S)-2-methylcyclohexyl]-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[4-[(1R,2S)-2-methylcyclohexyl]-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[4-[(1R,2S)-2-methylcyclohexyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[4-[(1R,2S)-2-methylcyclohexyl]-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C22H24N4OS MolecularWeight: 392.51716

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1N2C(=NN=C2SCC(=O)C3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

C[C@H]1CCCC[C@H]1N2C(=NN=C2SCC(=O)C3=CC=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C22H24N4OS/c1-16-8-5-6-12-19(16)26-21(18-11-7-13-23-14-18)24-25-22(26)28-15-20(27)17-9-3-2-4-10-17/h2-4,7,9-11,13-14,16,19H,5-6,8,12,15H2,1H3/t16-,19+/m0/s1