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

Systemtic Name: N-butan-2-yl-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-sec-butyl-acetamide CAS Name: N-butan-2-yl-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-butan-2-yl-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-sec-butyl-acetamide Formula: C19H21N5OS MolecularWeight: 367.46794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5OS/c1-3-14(2)21-17(25)13-26-19-23-22-18(15-9-11-20-12-10-15)24(19)16-7-5-4-6-8-16/h4-12,14H,3,13H2,1-2H3,(H,21,25)