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

Systemtic Name: N-ethyl-2-[[4-[(1R,2S)-2-methylcyclohexyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-ethyl-2-[[4-[(1R,2S)-2-methylcyclohexyl]-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-ethyl-2-[[4-[(1R,2S)-2-methylcyclohexyl]-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-ethyl-2-[[4-[(1R,2S)-2-methylcyclohexyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-ethyl-2-[[4-[(1R,2S)-2-methylcyclohexyl]-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C18H25N5OS MolecularWeight: 359.489

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)CSC1=NN=C(N1C2CCCCC2C)C3=CN=CC=C3

Isomeric SMILES

CCNC(=O)CSC1=NN=C(N1[C@@H]2CCCC[C@@H]2C)C3=CN=CC=C3

InChI

InChI=1S/C18H25N5OS/c1-3-20-16(24)12-25-18-22-21-17(14-8-6-10-19-11-14)23(18)15-9-5-4-7-13(15)2/h6,8,10-11,13,15H,3-5,7,9,12H2,1-2H3,(H,20,24)/t13-,15+/m0/s1