5-(2-azanylidene-3-methyl-4-oxidanyl-1,3-thiazolidin-4-yl)-2-chloranyl-benzenesulfonamide; methylbenzene; hydrobromide

Systemtic Name: 5-(2-azanylidene-3-methyl-4-oxidanyl-1,3-thiazolidin-4-yl)-2-chloranyl-benzenesulfonamide; methylbenzene; hydrobromide Openeye Name: 2-chloro-5-(4-hydroxy-2-imino-3-methyl-thiazolidin-4-yl)benzenesulfonamide; toluene; hydrobromide CAS Name: 2-chloro-5-(4-hydroxy-2-imino-3-methyl-4-thiazolidinyl)benzenesulfonamide; toluene; hydrobromide IUPAC Name: 2-chloro-5-(4-hydroxy-2-imino-3-methyl-1,3-thiazolidin-4-yl)benzenesulfonamide; toluene; hydrobromide Traditional Name: 2-chloro-5-(4-hydroxy-2-imino-3-methyl-thiazolidin-4-yl)benzenesulfonamide; toluene; hydrobromide Formula: C17H21BrClN3O3S2 MolecularWeight: 494.85394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1.CN1C(=N)SCC1(C2=CC(=C(C=C2)Cl)S(=O)(=O)N)O.Br

Isomeric SMILES

CC1=CC=CC=C1.CN1C(=N)SCC1(C2=CC(=C(C=C2)Cl)S(=O)(=O)N)O.Br

InChI

InChI=1S/C10H12ClN3O3S2.C7H8.BrH/c1-14-9(12)18-5-10(14,15)6-2-3-7(11)8(4-6)19(13,16)17;1-7-5-3-2-4-6-7;/h2-4,12,15H,5H2,1H3,(H2,13,16,17);2-6H,1H3;1H