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

Systemtic Name: 2-[[4-(4-methylphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-propan-2-ylphenyl)ethanamide Openeye Name: N-(2-isopropylphenyl)-2-[[4-(p-tolyl)-5-(2-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-(4-methylphenyl)-5-(2-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-(2-propan-2-ylphenyl)acetamide IUPAC Name: 2-[[4-(4-methylphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-propan-2-ylphenyl)acetamide Traditional Name: N-o-cumenyl-2-[[4-(p-tolyl)-5-(2-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C25H25N5OS MolecularWeight: 443.5639

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC=C3C(C)C)C4=CC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC=C3C(C)C)C4=CC=CC=N4

InChI

InChI=1S/C25H25N5OS/c1-17(2)20-8-4-5-9-21(20)27-23(31)16-32-25-29-28-24(22-10-6-7-15-26-22)30(25)19-13-11-18(3)12-14-19/h4-15,17H,16H2,1-3H3,(H,27,31)