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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O2S/c1-29-19-9-7-17(8-10-19)24-20(28)15-30-22-26-25-21(16-11-13-23-14-12-16)27(22)18-5-3-2-4-6-18/h7-14,18H,2-6,15H2,1H3,(H,24,28)