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

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

CCC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC(C)CC)C3=CC=CC=N3

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC(C)CC)C3=CC=CC=N3

InChI

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