N,N-diethyl-3-nitro-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]benzenesulfonamide

Systemtic Name: N,N-diethyl-3-nitro-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]benzenesulfonamide Openeye Name: N,N-diethyl-3-nitro-4-(1-phenyltetrazol-5-yl)sulfanyl-benzenesulfonamide CAS Name: N,N-diethyl-3-nitro-4-[(1-phenyl-5-tetrazolyl)thio]benzenesulfonamide IUPAC Name: N,N-diethyl-3-nitro-4-(1-phenyltetrazol-5-yl)sulfanylbenzenesulfonamide Traditional Name: N,N-diethyl-3-nitro-4-[(1-phenyltetrazol-5-yl)thio]benzenesulfonamide Formula: C17H18N6O4S2 MolecularWeight: 434.49262

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)SC2=NN=NN2C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)SC2=NN=NN2C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H18N6O4S2/c1-3-21(4-2)29(26,27)14-10-11-16(15(12-14)23(24)25)28-17-18-19-20-22(17)13-8-6-5-7-9-13/h5-12H,3-4H2,1-2H3