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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=NN=C2SCC(=O)NC3CCCCC3)C4=CC=CC=N4

Isomeric SMILES

COC1=CC=CC=C1N2C(=NN=C2SCC(=O)NC3CCCCC3)C4=CC=CC=N4

InChI

InChI=1S/C22H25N5O2S/c1-29-19-13-6-5-12-18(19)27-21(17-11-7-8-14-23-17)25-26-22(27)30-15-20(28)24-16-9-3-2-4-10-16/h5-8,11-14,16H,2-4,9-10,15H2,1H3,(H,24,28)