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

Systemtic Name: N,N-diethyl-4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-(1-methyltetrazol-5-yl)sulfanyl-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[(1-methyl-5-tetrazolyl)thio]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-(1-methyltetrazol-5-yl)sulfanyl-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[(1-methyltetrazol-5-yl)thio]-3-nitro-benzenesulfonamide Formula: C12H16N6O4S2 MolecularWeight: 372.42324

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)SC2=NN=NN2C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)SC2=NN=NN2C)[N+](=O)[O-]

InChI

InChI=1S/C12H16N6O4S2/c1-4-17(5-2)24(21,22)9-6-7-11(10(8-9)18(19)20)23-12-13-14-15-16(12)3/h6-8H,4-5H2,1-3H3