2-[[4-[(1R,2S)-2-methylcyclohexyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide

Systemtic Name: 2-[[4-[(1R,2S)-2-methylcyclohexyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[4-[(1R,2S)-2-methylcyclohexyl]-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[4-[(1R,2S)-2-methylcyclohexyl]-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[4-[(1R,2S)-2-methylcyclohexyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[4-[(1R,2S)-2-methylcyclohexyl]-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-phenethyl-acetamide Formula: C24H29N5OS MolecularWeight: 435.58496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1N2C(=NN=C2SCC(=O)NCCC3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

C[C@H]1CCCC[C@H]1N2C(=NN=C2SCC(=O)NCCC3=CC=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C24H29N5OS/c1-18-8-5-6-12-21(18)29-23(20-11-7-14-25-16-20)27-28-24(29)31-17-22(30)26-15-13-19-9-3-2-4-10-19/h2-4,7,9-11,14,16,18,21H,5-6,8,12-13,15,17H2,1H3,(H,26,30)/t18-,21+/m0/s1