3-nitro-4-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)benzenesulfonamide

Systemtic Name: 3-nitro-4-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)benzenesulfonamide Openeye Name: 3-nitro-4-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)benzenesulfonamide CAS Name: 3-nitro-4-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylthio)benzenesulfonamide IUPAC Name: 3-nitro-4-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)benzenesulfonamide Traditional Name: 3-nitro-4-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylthio)benzenesulfonamide Formula: C11H8N6O4S2 MolecularWeight: 352.34902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN2C(=NC(=N2)SC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-])N=C1

Isomeric SMILES

C1=CN2C(=NC(=N2)SC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-])N=C1

InChI

InChI=1S/C11H8N6O4S2/c12-23(20,21)7-2-3-9(8(6-7)17(18)19)22-11-14-10-13-4-1-5-16(10)15-11/h1-6H,(H2,12,20,21)