4-chloranyl-2-methyl-6-sulfanyl-N-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide

Systemtic Name: 4-chloranyl-2-methyl-6-sulfanyl-N-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide Openeye Name: 4-chloro-2-methyl-6-sulfanyl-N-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide CAS Name: 4-chloro-2-mercapto-6-methyl-N-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide IUPAC Name: 4-chloro-2-methyl-6-sulfanyl-N-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide Traditional Name: 4-chloro-2-mercapto-6-methyl-N-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide Formula: C16H12ClN5O2S2 MolecularWeight: 405.88178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)NC2=NN=C3N2N=CC4=CC=CC=C43)S)Cl

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)NC2=NN=C3N2N=CC4=CC=CC=C43)S)Cl

InChI

InChI=1S/C16H12ClN5O2S2/c1-9-6-11(17)7-13(25)14(9)26(23,24)21-16-20-19-15-12-5-3-2-4-10(12)8-18-22(15)16/h2-8,25H,1H3,(H,20,21)