N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-1-(2-nitrophenyl)methanesulfonamide

Systemtic Name: N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-1-(2-nitrophenyl)methanesulfonamide Openeye Name: N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-1-(2-nitrophenyl)methanesulfonamide CAS Name: N-[1-methyl-5-(methylthio)-1,2,4-triazol-3-yl]-1-(2-nitrophenyl)methanesulfonamide IUPAC Name: N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-1-(2-nitrophenyl)methanesulfonamide Traditional Name: N-[1-methyl-5-(methylthio)-1,2,4-triazol-3-yl]-1-(2-nitrophenyl)methanesulfonamide Formula: C11H13N5O4S2 MolecularWeight: 343.38202

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC(=N1)NS(=O)(=O)CC2=CC=CC=C2[N+](=O)[O-])SC

Isomeric SMILES

CN1C(=NC(=N1)NS(=O)(=O)CC2=CC=CC=C2[N+](=O)[O-])SC

InChI

InChI=1S/C11H13N5O4S2/c1-15-11(21-2)12-10(13-15)14-22(19,20)7-8-5-3-4-6-9(8)16(17)18/h3-6H,7H2,1-2H3,(H,13,14)