4-chloranyl-5-methyl-N-(4-oxidanylidene-1H-quinazolin-2-yl)-2-(phenylmethylsulfanyl)benzenesulfonamide

Systemtic Name: 4-chloranyl-5-methyl-N-(4-oxidanylidene-1H-quinazolin-2-yl)-2-(phenylmethylsulfanyl)benzenesulfonamide Openeye Name: 2-benzylsulfanyl-4-chloro-5-methyl-N-(4-oxo-1H-quinazolin-2-yl)benzenesulfonamide CAS Name: 4-chloro-5-methyl-N-(4-oxo-1H-quinazolin-2-yl)-2-(phenylmethylthio)benzenesulfonamide IUPAC Name: 2-benzylsulfanyl-4-chloro-5-methyl-N-(4-oxo-1H-quinazolin-2-yl)benzenesulfonamide Traditional Name: 2-(benzylthio)-4-chloro-N-(4-keto-1H-quinazolin-2-yl)-5-methyl-benzenesulfonamide Formula: C22H18ClN3O3S2 MolecularWeight: 471.97962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)SCC2=CC=CC=C2)S(=O)(=O)NC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC1=CC(=C(C=C1Cl)SCC2=CC=CC=C2)S(=O)(=O)NC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C22H18ClN3O3S2/c1-14-11-20(19(12-17(14)23)30-13-15-7-3-2-4-8-15)31(28,29)26-22-24-18-10-6-5-9-16(18)21(27)25-22/h2-12H,13H2,1H3,(H2,24,25,26,27)