2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4,6-dimethoxypyrimidin-2-yl)ethanamide

Systemtic Name: 2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4,6-dimethoxypyrimidin-2-yl)ethanamide Openeye Name: 2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4,6-dimethoxypyrimidin-2-yl)acetamide CAS Name: 2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(4,6-dimethoxy-2-pyrimidinyl)acetamide IUPAC Name: 2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4,6-dimethoxypyrimidin-2-yl)acetamide Traditional Name: 2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(4,6-dimethoxypyrimidin-2-yl)acetamide Formula: C22H26N6O3S MolecularWeight: 454.54524

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC(=O)CSC2=NN=C(N2C3CCCCC3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=CC(=NC(=N1)NC(=O)CSC2=NN=C(N2C3CCCCC3)C4=CC=CC=C4)OC

InChI

InChI=1S/C22H26N6O3S/c1-30-18-13-19(31-2)25-21(24-18)23-17(29)14-32-22-27-26-20(15-9-5-3-6-10-15)28(22)16-11-7-4-8-12-16/h3,5-6,9-10,13,16H,4,7-8,11-12,14H2,1-2H3,(H,23,24,25,29)