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

Systemtic Name: N-(cyclohexylcarbamoyl)-2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(cyclohexylcarbamoyl)-2-[[4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[(cyclohexylamino)-oxomethyl]-2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(cyclohexylcarbamoyl)-2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(cyclohexylcarbamoyl)-2-[[4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C23H26N6O3S MolecularWeight: 466.55594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N6O3S/c1-32-19-9-7-18(8-10-19)29-21(16-11-13-24-14-12-16)27-28-23(29)33-15-20(30)26-22(31)25-17-5-3-2-4-6-17/h7-14,17H,2-6,15H2,1H3,(H2,25,26,30,31)