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

Systemtic Name: N-(5-methyl-7-oxidanylidene-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-4-nitro-benzenesulfonamide Openeye Name: N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-4-nitro-benzenesulfonamide CAS Name: N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-4-nitrobenzenesulfonamide IUPAC Name: N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-4-nitrobenzenesulfonamide Traditional Name: N-(7-keto-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-4-nitro-benzenesulfonamide Formula: C12H10N6O5S MolecularWeight: 350.31

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N2C(=N1)N=CN2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N2C(=N1)N=CN2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C12H10N6O5S/c1-7-10(11(19)17-12(15-7)13-6-14-17)16-24(22,23)9-4-2-8(3-5-9)18(20)21/h2-6,16H,1H3,(H,13,14,15)