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

Systemtic Name: N-ethyl-4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-3-nitro-N-phenyl-benzenesulfonamide Openeye Name: N-ethyl-4-(1-methyltetrazol-5-yl)sulfanyl-3-nitro-N-phenyl-benzenesulfonamide CAS Name: N-ethyl-4-[(1-methyl-5-tetrazolyl)thio]-3-nitro-N-phenylbenzenesulfonamide IUPAC Name: N-ethyl-4-(1-methyltetrazol-5-yl)sulfanyl-3-nitro-N-phenylbenzenesulfonamide Traditional Name: N-ethyl-4-[(1-methyltetrazol-5-yl)thio]-3-nitro-N-phenyl-benzenesulfonamide Formula: C16H16N6O4S2 MolecularWeight: 420.46604

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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=NN3C)[N+](=O)[O-]

Isomeric SMILES

CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=NN3C)[N+](=O)[O-]

InChI

InChI=1S/C16H16N6O4S2/c1-3-21(12-7-5-4-6-8-12)28(25,26)13-9-10-15(14(11-13)22(23)24)27-16-17-18-19-20(16)2/h4-11H,3H2,1-2H3