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

Systemtic Name: N-butan-2-yl-2-[[4-(3,5-dimethylphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-(3,5-dimethylphenyl)-5-(2-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-sec-butyl-acetamide CAS Name: N-butan-2-yl-2-[[4-(3,5-dimethylphenyl)-5-(2-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-butan-2-yl-2-[[4-(3,5-dimethylphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-(3,5-dimethylphenyl)-5-(2-pyridyl)-1,2,4-triazol-3-yl]thio]-N-sec-butyl-acetamide Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=NN=C(N1C2=CC(=CC(=C2)C)C)C3=CC=CC=N3

Isomeric SMILES

CCC(C)NC(=O)CSC1=NN=C(N1C2=CC(=CC(=C2)C)C)C3=CC=CC=N3

InChI

InChI=1S/C21H25N5OS/c1-5-16(4)23-19(27)13-28-21-25-24-20(18-8-6-7-9-22-18)26(21)17-11-14(2)10-15(3)12-17/h6-12,16H,5,13H2,1-4H3,(H,23,27)