N-(4,6-dimethylpyridin-2-yl)-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-(4,6-dimethylpyridin-2-yl)-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-(4,6-dimethyl-2-pyridyl)-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-(4,6-dimethyl-2-pyridinyl)-3-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-(4,6-dimethylpyridin-2-yl)-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-(4,6-dimethyl-2-pyridyl)-3-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C17H17N5OS MolecularWeight: 339.41478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1)NC(=O)C2=CC(=CC=C2)CSC3=NC=NN3)C

Isomeric SMILES

CC1=CC(=NC(=C1)NC(=O)C2=CC(=CC=C2)CSC3=NC=NN3)C

InChI

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