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

Systemtic Name: N-cyclohexyl-2-[[4-(3-methoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-cyclohexyl-2-[[4-(3-methoxyphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-cyclohexyl-2-[[4-(3-methoxyphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-cyclohexyl-2-[[4-(3-methoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-cyclohexyl-2-[[4-(3-methoxyphenyl)-5-(3-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(=C1)N2C(=NN=C2SCC(=O)NC3CCCCC3)C4=CN=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=NN=C2SCC(=O)NC3CCCCC3)C4=CN=CC=C4

InChI

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