4-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-3-nitro-benzenesulfonamide Openeye Name: 4-[[4-ethyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-3-nitro-benzenesulfonamide CAS Name: 4-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-[[4-ethyl-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]-N-methyl-3-nitro-benzenesulfonamide Formula: C18H19N5O4S2 MolecularWeight: 433.50456

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC2=C(C=C(C=C2)S(=O)(=O)NC)[N+](=O)[O-])C3=CC=CC=C3C

Isomeric SMILES

CCN1C(=NN=C1SC2=C(C=C(C=C2)S(=O)(=O)NC)[N+](=O)[O-])C3=CC=CC=C3C

InChI

InChI=1S/C18H19N5O4S2/c1-4-22-17(14-8-6-5-7-12(14)2)20-21-18(22)28-16-10-9-13(29(26,27)19-3)11-15(16)23(24)25/h5-11,19H,4H2,1-3H3