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

Systemtic Name: 2-[[4-(3-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[4-(m-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[4-(3-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[4-(3-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[4-(m-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-phenethyl-acetamide Formula: C24H23N5OS MolecularWeight: 429.53732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)NCCC3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)NCCC3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C24H23N5OS/c1-18-6-5-9-21(16-18)29-23(20-11-13-25-14-12-20)27-28-24(29)31-17-22(30)26-15-10-19-7-3-2-4-8-19/h2-9,11-14,16H,10,15,17H2,1H3,(H,26,30)