N,N-dimethyl-3-nitro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)benzenesulfonamide

Systemtic Name: N,N-dimethyl-3-nitro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)benzenesulfonamide Openeye Name: N,N-dimethyl-3-nitro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)benzenesulfonamide CAS Name: N,N-dimethyl-3-nitro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)benzenesulfonamide IUPAC Name: N,N-dimethyl-3-nitro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)benzenesulfonamide Traditional Name: N,N-dimethyl-3-nitro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)benzenesulfonamide Formula: C14H13N5O4S2 MolecularWeight: 379.41412

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)SC2=NN=C3N2C=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)SC2=NN=C3N2C=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H13N5O4S2/c1-17(2)25(22,23)10-6-7-12(11(9-10)19(20)21)24-14-16-15-13-5-3-4-8-18(13)14/h3-9H,1-2H3