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

Systemtic Name: 4-chloranyl-N-[[4-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]benzenesulfonamide Openeye Name: 4-chloro-N-[[4-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]benzenesulfonamide CAS Name: 4-chloro-N-[[4-ethyl-5-[(4-nitrophenyl)methylthio]-1,2,4-triazol-3-yl]methyl]benzenesulfonamide IUPAC Name: 4-chloro-N-[[4-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]benzenesulfonamide Traditional Name: 4-chloro-N-[[4-ethyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazol-3-yl]methyl]benzenesulfonamide Formula: C18H18ClN5O4S2 MolecularWeight: 467.94962

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])CNS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])CNS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H18ClN5O4S2/c1-2-23-17(11-20-30(27,28)16-9-5-14(19)6-10-16)21-22-18(23)29-12-13-3-7-15(8-4-13)24(25)26/h3-10,20H,2,11-12H2,1H3