3-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(4,6-dimethylpyridin-2-yl)benzamide

Systemtic Name: 3-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(4,6-dimethylpyridin-2-yl)benzamide Openeye Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(4,6-dimethyl-2-pyridyl)benzamide CAS Name: 3-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-N-(4,6-dimethyl-2-pyridinyl)benzamide IUPAC Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(4,6-dimethylpyridin-2-yl)benzamide Traditional Name: 3-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-N-(4,6-dimethyl-2-pyridyl)benzamide Formula: C17H18N6OS MolecularWeight: 354.42942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1)NC(=O)C2=CC(=CC=C2)CSC3=NNC(=N3)N)C

Isomeric SMILES

CC1=CC(=NC(=C1)NC(=O)C2=CC(=CC=C2)CSC3=NNC(=N3)N)C

InChI

InChI=1S/C17H18N6OS/c1-10-6-11(2)19-14(7-10)20-15(24)13-5-3-4-12(8-13)9-25-17-21-16(18)22-23-17/h3-8H,9H2,1-2H3,(H,19,20,24)(H3,18,21,22,23)