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

Systemtic Name: 4-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-methyl-3-nitro-benzenesulfonamide Openeye Name: 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methyl-3-nitro-benzenesulfonamide CAS Name: 4-[(1-cyclopropyl-5-tetrazolyl)thio]-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-[(1-cyclopropyltetrazol-5-yl)thio]-N-methyl-3-nitro-benzenesulfonamide Formula: C11H12N6O4S2 MolecularWeight: 356.38078

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC(=C(C=C1)SC2=NN=NN2C3CC3)[N+](=O)[O-]

Isomeric SMILES

CNS(=O)(=O)C1=CC(=C(C=C1)SC2=NN=NN2C3CC3)[N+](=O)[O-]

InChI

InChI=1S/C11H12N6O4S2/c1-12-23(20,21)8-4-5-10(9(6-8)17(18)19)22-11-13-14-15-16(11)7-2-3-7/h4-7,12H,2-3H2,1H3