2-[(5-azanyl-7-oxidanylidene-1H-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-(3-methylphenyl)ethanamide

Systemtic Name: 2-[(5-azanyl-7-oxidanylidene-1H-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-(3-methylphenyl)ethanamide Openeye Name: 2-[(5-amino-7-oxo-1H-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-(m-tolyl)acetamide CAS Name: 2-[(5-amino-7-oxo-1H-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio]-N-(3-methylphenyl)acetamide IUPAC Name: 2-[(5-amino-7-oxo-1H-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide Traditional Name: 2-[(5-amino-7-keto-1H-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio]-N-(m-tolyl)acetamide Formula: C14H14N6O2S MolecularWeight: 330.36496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSC2=NNC3=NC(=O)C=C(N32)N

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSC2=NNC3=NC(=O)C=C(N32)N

InChI

InChI=1S/C14H14N6O2S/c1-8-3-2-4-9(5-8)16-12(22)7-23-14-19-18-13-17-11(21)6-10(15)20(13)14/h2-6H,7,15H2,1H3,(H,16,22)(H,17,18,21)