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

Systemtic Name: 4-chloranyl-5-methyl-N-[1-methyl-5-[(4-methylphenyl)amino]-1,2,4-triazol-3-yl]-2-sulfanyl-benzenesulfonamide Openeye Name: 4-chloro-5-methyl-N-[1-methyl-5-(4-methylanilino)-1,2,4-triazol-3-yl]-2-sulfanyl-benzenesulfonamide CAS Name: 4-chloro-2-mercapto-5-methyl-N-[1-methyl-5-(4-methylanilino)-1,2,4-triazol-3-yl]benzenesulfonamide IUPAC Name: 4-chloro-5-methyl-N-[1-methyl-5-(4-methylanilino)-1,2,4-triazol-3-yl]-2-sulfanylbenzenesulfonamide Traditional Name: 4-chloro-2-mercapto-5-methyl-N-[1-methyl-5-(p-toluidino)-1,2,4-triazol-3-yl]benzenesulfonamide Formula: C17H18ClN5O2S2 MolecularWeight: 423.94012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NN2C)NS(=O)(=O)C3=C(C=C(C(=C3)C)Cl)S

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NN2C)NS(=O)(=O)C3=C(C=C(C(=C3)C)Cl)S

InChI

InChI=1S/C17H18ClN5O2S2/c1-10-4-6-12(7-5-10)19-17-20-16(21-23(17)3)22-27(24,25)15-8-11(2)13(18)9-14(15)26/h4-9,26H,1-3H3,(H2,19,20,21,22)