2-[[4-(4-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)ethanamide

Systemtic Name: 2-[[4-(4-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)ethanamide Openeye Name: 2-[[4-(p-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide CAS Name: 2-[[4-(4-methylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-(2,4,6-trimethylphenyl)acetamide IUPAC Name: 2-[[4-(4-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide Traditional Name: N-mesityl-2-[[4-(p-tolyl)-5-(3-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=C(C=C(C=C3C)C)C)C4=CN=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H25N5OS/c1-16-7-9-21(10-8-16)30-24(20-6-5-11-26-14-20)28-29-25(30)32-15-22(31)27-23-18(3)12-17(2)13-19(23)4/h5-14H,15H2,1-4H3,(H,27,31)