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

Systemtic Name: N,N-diethyl-3-nitro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)benzenesulfonamide Openeye Name: N,N-diethyl-3-nitro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)benzenesulfonamide CAS Name: N,N-diethyl-3-nitro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)benzenesulfonamide IUPAC Name: N,N-diethyl-3-nitro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)benzenesulfonamide Traditional Name: N,N-diethyl-3-nitro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)benzenesulfonamide Formula: C16H17N5O4S2 MolecularWeight: 407.46728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N5O4S2/c1-3-19(4-2)27(24,25)12-8-9-14(13(11-12)21(22)23)26-16-18-17-15-7-5-6-10-20(15)16/h5-11H,3-4H2,1-2H3