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

Systemtic Name: 2-[(4-azanyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]ethanamide Openeye Name: 2-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide CAS Name: 2-[[4-amino-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-[(1S,2S)-2-methylcyclohexyl]acetamide IUPAC Name: 2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide Traditional Name: 2-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-[(1S,2S)-2-methylcyclohexyl]acetamide Formula: C16H22N6OS MolecularWeight: 346.45048

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)CSC2=NN=C(N2N)C3=CN=CC=C3

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=O)CSC2=NN=C(N2N)C3=CN=CC=C3

InChI

InChI=1S/C16H22N6OS/c1-11-5-2-3-7-13(11)19-14(23)10-24-16-21-20-15(22(16)17)12-6-4-8-18-9-12/h4,6,8-9,11,13H,2-3,5,7,10,17H2,1H3,(H,19,23)/t11-,13-/m0/s1