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

Systemtic Name: 2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(6-methoxypyridin-3-yl)ethanamide Openeye Name: 2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(6-methoxy-3-pyridyl)acetamide CAS Name: 2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(6-methoxy-3-pyridinyl)acetamide IUPAC Name: 2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(6-methoxypyridin-3-yl)acetamide Traditional Name: 2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(6-methoxy-3-pyridyl)acetamide Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=C1)NC(=O)CSC2=NN=C(N2C3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

COC1=NC=C(C=C1)NC(=O)CSC2=NN=C(N2C3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C22H25N5O2S/c1-29-20-13-12-17(14-23-20)24-19(28)15-30-22-26-25-21(16-8-4-2-5-9-16)27(22)18-10-6-3-7-11-18/h2,4-5,8-9,12-14,18H,3,6-7,10-11,15H2,1H3,(H,24,28)