3-cyano-N-(5-methyl-7-oxidanylidene-2-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)benzenesulfonamide

Systemtic Name: 3-cyano-N-(5-methyl-7-oxidanylidene-2-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)benzenesulfonamide Openeye Name: 3-cyano-N-(5-methyl-7-oxo-2-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)benzenesulfonamide CAS Name: 3-cyano-N-(5-methyl-7-oxo-2-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)benzenesulfonamide IUPAC Name: 3-cyano-N-(5-methyl-7-oxo-2-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)benzenesulfonamide Traditional Name: 3-cyano-N-(7-keto-5-methyl-2-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)benzenesulfonamide Formula: C16H16N6O3S MolecularWeight: 372.40164

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=NC(=C(C(=O)N2N1)NS(=O)(=O)C3=CC=CC(=C3)C#N)C

Isomeric SMILES

CCCC1=NC2=NC(=C(C(=O)N2N1)NS(=O)(=O)C3=CC=CC(=C3)C#N)C

InChI

InChI=1S/C16H16N6O3S/c1-3-5-13-19-16-18-10(2)14(15(23)22(16)20-13)21-26(24,25)12-7-4-6-11(8-12)9-17/h4,6-8,21H,3,5H2,1-2H3,(H,18,19,20)