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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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