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

Systemtic Name: N-(5-methyl-7-oxidanylidene-2-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-4-nitro-benzenesulfonamide Openeye Name: N-(5-methyl-7-oxo-2-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-4-nitro-benzenesulfonamide CAS Name: N-(5-methyl-7-oxo-2-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-4-nitrobenzenesulfonamide IUPAC Name: N-(5-methyl-7-oxo-2-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-4-nitrobenzenesulfonamide Traditional Name: N-(7-keto-5-methyl-2-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-4-nitro-benzenesulfonamide Formula: C15H16N6O5S MolecularWeight: 392.38974

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=NC(=C(C(=O)N2N1)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CCCC1=NC2=NC(=C(C(=O)N2N1)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C15H16N6O5S/c1-3-4-12-17-15-16-9(2)13(14(22)20(15)18-12)19-27(25,26)11-7-5-10(6-8-11)21(23)24/h5-8,19H,3-4H2,1-2H3,(H,16,17,18)