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

Systemtic Name: N-[(1S,2S)-2-methylcyclohexyl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[(1S,2S)-2-methylcyclohexyl]-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[(1S,2S)-2-methylcyclohexyl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[(1S,2S)-2-methylcyclohexyl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[(1S,2S)-2-methylcyclohexyl]-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C16H21N5OS MolecularWeight: 331.43584

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)CSC2=NNC(=N2)C3=CC=NC=C3

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=O)CSC2=NNC(=N2)C3=CC=NC=C3

InChI

InChI=1S/C16H21N5OS/c1-11-4-2-3-5-13(11)18-14(22)10-23-16-19-15(20-21-16)12-6-8-17-9-7-12/h6-9,11,13H,2-5,10H2,1H3,(H,18,22)(H,19,20,21)/t11-,13-/m0/s1