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

Systemtic Name: N-(2,6-diethylphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2,6-diethylphenyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2,6-diethylphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2,6-diethylphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2,6-diethylphenyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C19H21N5OS MolecularWeight: 367.46794

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NNC(=N2)C3=CC=NC=C3

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NNC(=N2)C3=CC=NC=C3

InChI

InChI=1S/C19H21N5OS/c1-3-13-6-5-7-14(4-2)17(13)21-16(25)12-26-19-22-18(23-24-19)15-8-10-20-11-9-15/h5-11H,3-4,12H2,1-2H3,(H,21,25)(H,22,23,24)