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

Systemtic Name: N-(1-cyanocyclohexyl)-2-[[4-(2-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1-cyanocyclohexyl)-2-[[4-(2-ethoxyphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1-cyanocyclohexyl)-2-[[4-(2-ethoxyphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1-cyanocyclohexyl)-2-[[4-(2-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1-cyanocyclohexyl)-2-[[4-o-phenetyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C24H26N6O2S MolecularWeight: 462.56724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C(=NN=C2SCC(=O)NC3(CCCCC3)C#N)C4=CN=CC=C4

Isomeric SMILES

CCOC1=CC=CC=C1N2C(=NN=C2SCC(=O)NC3(CCCCC3)C#N)C4=CN=CC=C4

InChI

InChI=1S/C24H26N6O2S/c1-2-32-20-11-5-4-10-19(20)30-22(18-9-8-14-26-15-18)28-29-23(30)33-16-21(31)27-24(17-25)12-6-3-7-13-24/h4-5,8-11,14-15H,2-3,6-7,12-13,16H2,1H3,(H,27,31)