N-(2,3-dimethylcyclohexyl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(2,3-dimethylcyclohexyl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2,3-dimethylcyclohexyl)-2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2,3-dimethylcyclohexyl)-2-[[4-phenyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2,3-dimethylcyclohexyl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2,3-dimethylcyclohexyl)-2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C23H27N5OS MolecularWeight: 421.55838

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

CC1CCCC(C1C)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C23H27N5OS/c1-16-8-6-12-20(17(16)2)25-21(29)15-30-23-27-26-22(18-9-7-13-24-14-18)28(23)19-10-4-3-5-11-19/h3-5,7,9-11,13-14,16-17,20H,6,8,12,15H2,1-2H3,(H,25,29)