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

Systemtic Name: N-methyl-3-nitro-4-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]benzenesulfonamide Openeye Name: N-methyl-3-nitro-4-[[5-(2-thienylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]benzenesulfonamide CAS Name: N-methyl-3-nitro-4-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]thio]benzenesulfonamide IUPAC Name: N-methyl-3-nitro-4-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]benzenesulfonamide Traditional Name: N-methyl-3-nitro-4-[[5-(2-thenyl)-1H-1,2,4-triazol-3-yl]thio]benzenesulfonamide Formula: C14H13N5O4S3 MolecularWeight: 411.47912

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC(=C(C=C1)SC2=NNC(=N2)CC3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CNS(=O)(=O)C1=CC(=C(C=C1)SC2=NNC(=N2)CC3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C14H13N5O4S3/c1-15-26(22,23)10-4-5-12(11(8-10)19(20)21)25-14-16-13(17-18-14)7-9-3-2-6-24-9/h2-6,8,15H,7H2,1H3,(H,16,17,18)