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

Systemtic Name: N-(2,5-dimethylphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2,5-dimethylphenyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2,5-dimethylphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2,5-dimethylphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2,5-dimethylphenyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C17H17N5OS MolecularWeight: 339.41478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)CSC2=NNC(=N2)C3=CC=NC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)CSC2=NNC(=N2)C3=CC=NC=C3

InChI

InChI=1S/C17H17N5OS/c1-11-3-4-12(2)14(9-11)19-15(23)10-24-17-20-16(21-22-17)13-5-7-18-8-6-13/h3-9H,10H2,1-2H3,(H,19,23)(H,20,21,22)