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

Systemtic Name: 3-methyl-N-[3-[(2-methylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]benzenesulfonamide Openeye Name: 3-methyl-N-[3-(o-tolylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]benzenesulfonamide CAS Name: 3-methyl-N-[3-[(2-methylphenyl)methylthio]-1H-1,2,4-triazol-5-yl]benzenesulfonamide IUPAC Name: 3-methyl-N-[3-[(2-methylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]benzenesulfonamide Traditional Name: 3-methyl-N-[3-[(2-methylbenzyl)thio]-1H-1,2,4-triazol-5-yl]benzenesulfonamide Formula: C17H18N4O2S2 MolecularWeight: 374.48042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)NC2=NC(=NN2)SCC3=CC=CC=C3C

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)NC2=NC(=NN2)SCC3=CC=CC=C3C

InChI

InChI=1S/C17H18N4O2S2/c1-12-6-5-9-15(10-12)25(22,23)21-16-18-17(20-19-16)24-11-14-8-4-3-7-13(14)2/h3-10H,11H2,1-2H3,(H2,18,19,20,21)