5-(aminocarbamoyl)-4-chloranyl-N-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-2-sulfanyl-benzenesulfonamide

Systemtic Name: 5-(aminocarbamoyl)-4-chloranyl-N-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-2-sulfanyl-benzenesulfonamide Openeye Name: 4-chloro-5-(hydrazinecarbonyl)-N-(4-isobutyl-1,2,4-triazol-3-yl)-2-sulfanyl-benzenesulfonamide CAS Name: 4-chloro-5-(hydrazinecarbonyl)-2-mercapto-N-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]benzenesulfonamide IUPAC Name: 4-chloro-5-(hydrazinecarbonyl)-N-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-2-sulfanylbenzenesulfonamide Traditional Name: 5-carbazoyl-4-chloro-N-(4-isobutyl-1,2,4-triazol-3-yl)-2-mercapto-benzenesulfonamide Formula: C13H17ClN6O3S2 MolecularWeight: 404.89548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=NN=C1NS(=O)(=O)C2=C(C=C(C(=C2)C(=O)NN)Cl)S

Isomeric SMILES

CC(C)CN1C=NN=C1NS(=O)(=O)C2=C(C=C(C(=C2)C(=O)NN)Cl)S

InChI

InChI=1S/C13H17ClN6O3S2/c1-7(2)5-20-6-16-18-13(20)19-25(22,23)11-3-8(12(21)17-15)9(14)4-10(11)24/h3-4,6-7,24H,5,15H2,1-2H3,(H,17,21)(H,18,19)