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

Systemtic Name: 2-[[4-(3,5-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[4-(3,5-dimethylphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[4-(3,5-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[4-(3,5-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[4-(3,5-dimethylphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-phenethyl-acetamide Formula: C25H25N5OS MolecularWeight: 443.5639

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C25H25N5OS/c1-18-14-19(2)16-22(15-18)30-24(21-9-11-26-12-10-21)28-29-25(30)32-17-23(31)27-13-8-20-6-4-3-5-7-20/h3-7,9-12,14-16H,8,13,17H2,1-2H3,(H,27,31)