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

Systemtic Name: 2-[[4-(3-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[4-(3-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[4-(3-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[4-(3-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[4-(3-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-phenethyl-acetamide Formula: C24H23N5O2S MolecularWeight: 445.53672

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=NN=C2SCC(=O)NCCC3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=NN=C2SCC(=O)NCCC3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C24H23N5O2S/c1-31-21-9-5-8-20(16-21)29-23(19-11-13-25-14-12-19)27-28-24(29)32-17-22(30)26-15-10-18-6-3-2-4-7-18/h2-9,11-14,16H,10,15,17H2,1H3,(H,26,30)