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

Systemtic Name: N-ethyl-3-nitro-N-phenyl-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]benzenesulfonamide Openeye Name: N-ethyl-3-nitro-N-phenyl-4-(1-phenyltetrazol-5-yl)sulfanyl-benzenesulfonamide CAS Name: N-ethyl-3-nitro-N-phenyl-4-[(1-phenyl-5-tetrazolyl)thio]benzenesulfonamide IUPAC Name: N-ethyl-3-nitro-N-phenyl-4-(1-phenyltetrazol-5-yl)sulfanylbenzenesulfonamide Traditional Name: N-ethyl-3-nitro-N-phenyl-4-[(1-phenyltetrazol-5-yl)thio]benzenesulfonamide Formula: C21H18N6O4S2 MolecularWeight: 482.53542

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=NN3C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=NN3C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H18N6O4S2/c1-2-25(16-9-5-3-6-10-16)33(30,31)18-13-14-20(19(15-18)27(28)29)32-21-22-23-24-26(21)17-11-7-4-8-12-17/h3-15H,2H2,1H3