4-chloranyl-N-[[4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[[4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]benzenesulfonamide Openeye Name: 4-chloro-N-[[4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]benzenesulfonamide CAS Name: 4-chloro-N-[[4-methyl-5-[(4-nitrophenyl)methylthio]-1,2,4-triazol-3-yl]methyl]benzenesulfonamide IUPAC Name: 4-chloro-N-[[4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]benzenesulfonamide Traditional Name: 4-chloro-N-[[4-methyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazol-3-yl]methyl]benzenesulfonamide Formula: C17H16ClN5O4S2 MolecularWeight: 453.92304

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])CNS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])CNS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H16ClN5O4S2/c1-22-16(10-19-29(26,27)15-8-4-13(18)5-9-15)20-21-17(22)28-11-12-2-6-14(7-3-12)23(24)25/h2-9,19H,10-11H2,1H3