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

Systemtic Name: N,N-diethyl-3-nitro-4-[[1-(thiophen-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]benzenesulfonamide Openeye Name: N,N-diethyl-3-nitro-4-[1-(2-thienylmethyl)tetrazol-5-yl]sulfanyl-benzenesulfonamide CAS Name: N,N-diethyl-3-nitro-4-[[1-(thiophen-2-ylmethyl)-5-tetrazolyl]thio]benzenesulfonamide IUPAC Name: N,N-diethyl-3-nitro-4-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylbenzenesulfonamide Traditional Name: N,N-diethyl-3-nitro-4-[[1-(2-thenyl)tetrazol-5-yl]thio]benzenesulfonamide Formula: C16H18N6O4S3 MolecularWeight: 454.54692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N6O4S3/c1-3-20(4-2)29(25,26)13-7-8-15(14(10-13)22(23)24)28-16-17-18-19-21(16)11-12-6-5-9-27-12/h5-10H,3-4,11H2,1-2H3