4-chloranyl-5-methyl-N-[5-[(4-methylphenyl)amino]-1H-1,2,4-triazol-3-yl]-2-sulfanyl-benzenesulfonamide

Systemtic Name: 4-chloranyl-5-methyl-N-[5-[(4-methylphenyl)amino]-1H-1,2,4-triazol-3-yl]-2-sulfanyl-benzenesulfonamide Openeye Name: 4-chloro-5-methyl-N-[5-(4-methylanilino)-1H-1,2,4-triazol-3-yl]-2-sulfanyl-benzenesulfonamide CAS Name: 4-chloro-2-mercapto-5-methyl-N-[5-(4-methylanilino)-1H-1,2,4-triazol-3-yl]benzenesulfonamide IUPAC Name: 4-chloro-5-methyl-N-[5-(4-methylanilino)-1H-1,2,4-triazol-3-yl]-2-sulfanylbenzenesulfonamide Traditional Name: 4-chloro-2-mercapto-5-methyl-N-[5-(p-toluidino)-1H-1,2,4-triazol-3-yl]benzenesulfonamide Formula: C16H16ClN5O2S2 MolecularWeight: 409.91354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NN2)NS(=O)(=O)C3=C(C=C(C(=C3)C)Cl)S

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NN2)NS(=O)(=O)C3=C(C=C(C(=C3)C)Cl)S

InChI

InChI=1S/C16H16ClN5O2S2/c1-9-3-5-11(6-4-9)18-15-19-16(21-20-15)22-26(23,24)14-7-10(2)12(17)8-13(14)25/h3-8,25H,1-2H3,(H3,18,19,20,21,22)