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

Systemtic Name: N-methyl-3-nitro-4-[[1-(thiophen-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]benzenesulfonamide Openeye Name: N-methyl-3-nitro-4-[1-(2-thienylmethyl)tetrazol-5-yl]sulfanyl-benzenesulfonamide CAS Name: N-methyl-3-nitro-4-[[1-(thiophen-2-ylmethyl)-5-tetrazolyl]thio]benzenesulfonamide IUPAC Name: N-methyl-3-nitro-4-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylbenzenesulfonamide Traditional Name: N-methyl-3-nitro-4-[[1-(2-thenyl)tetrazol-5-yl]thio]benzenesulfonamide Formula: C13H12N6O4S3 MolecularWeight: 412.46718

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC(=C(C=C1)SC2=NN=NN2CC3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CNS(=O)(=O)C1=CC(=C(C=C1)SC2=NN=NN2CC3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C13H12N6O4S3/c1-14-26(22,23)10-4-5-12(11(7-10)19(20)21)25-13-15-16-17-18(13)8-9-3-2-6-24-9/h2-7,14H,8H2,1H3