4-chloranyl-5-methyl-N-(4-phenyl-1,4-dihydroquinazolin-2-yl)-2-sulfanyl-benzenesulfonamide

Systemtic Name: 4-chloranyl-5-methyl-N-(4-phenyl-1,4-dihydroquinazolin-2-yl)-2-sulfanyl-benzenesulfonamide Openeye Name: 4-chloro-5-methyl-N-(4-phenyl-1,4-dihydroquinazolin-2-yl)-2-sulfanyl-benzenesulfonamide CAS Name: 4-chloro-2-mercapto-5-methyl-N-(4-phenyl-1,4-dihydroquinazolin-2-yl)benzenesulfonamide IUPAC Name: 4-chloro-5-methyl-N-(4-phenyl-1,4-dihydroquinazolin-2-yl)-2-sulfanylbenzenesulfonamide Traditional Name: 4-chloro-2-mercapto-5-methyl-N-(4-phenyl-1,4-dihydroquinazolin-2-yl)benzenesulfonamide Formula: C21H18ClN3O2S2 MolecularWeight: 443.96952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NC(C3=CC=CC=C3N2)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NC(C3=CC=CC=C3N2)C4=CC=CC=C4

InChI

InChI=1S/C21H18ClN3O2S2/c1-13-11-19(18(28)12-16(13)22)29(26,27)25-21-23-17-10-6-5-9-15(17)20(24-21)14-7-3-2-4-8-14/h2-12,20,28H,1H3,(H2,23,24,25)