4-chloranyl-5-methyl-2-sulfanyl-N-([1,2,4]triazolo[3,4-a]isoquinolin-3-yl)benzenesulfonamide

Systemtic Name: 4-chloranyl-5-methyl-2-sulfanyl-N-([1,2,4]triazolo[3,4-a]isoquinolin-3-yl)benzenesulfonamide Openeye Name: 4-chloro-5-methyl-2-sulfanyl-N-([1,2,4]triazolo[3,4-a]isoquinolin-3-yl)benzenesulfonamide CAS Name: 4-chloro-2-mercapto-5-methyl-N-([1,2,4]triazolo[3,4-a]isoquinolin-3-yl)benzenesulfonamide IUPAC Name: 4-chloro-5-methyl-2-sulfanyl-N-([1,2,4]triazolo[3,4-a]isoquinolin-3-yl)benzenesulfonamide Traditional Name: 4-chloro-2-mercapto-5-methyl-N-([1,2,4]triazol[3,4-a]isoquinolin-3-yl)benzenesulfonamide Formula: C17H13ClN4O2S2 MolecularWeight: 404.89372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NN=C3N2C=CC4=CC=CC=C43

Isomeric SMILES

CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NN=C3N2C=CC4=CC=CC=C43

InChI

InChI=1S/C17H13ClN4O2S2/c1-10-8-15(14(25)9-13(10)18)26(23,24)21-17-20-19-16-12-5-3-2-4-11(12)6-7-22(16)17/h2-9,25H,1H3,(H,20,21)