N-(3-azanyl-4-oxidanylidene-quinazolin-2-yl)-4-chloranyl-5-methyl-2-sulfanyl-benzenesulfonamide

Systemtic Name: N-(3-azanyl-4-oxidanylidene-quinazolin-2-yl)-4-chloranyl-5-methyl-2-sulfanyl-benzenesulfonamide Openeye Name: N-(3-amino-4-oxo-quinazolin-2-yl)-4-chloro-5-methyl-2-sulfanyl-benzenesulfonamide CAS Name: N-(3-amino-4-oxo-2-quinazolinyl)-4-chloro-2-mercapto-5-methylbenzenesulfonamide IUPAC Name: N-(3-amino-4-oxoquinazolin-2-yl)-4-chloro-5-methyl-2-sulfanylbenzenesulfonamide Traditional Name: N-(3-amino-4-keto-quinazolin-2-yl)-4-chloro-2-mercapto-5-methyl-benzenesulfonamide Formula: C15H13ClN4O3S2 MolecularWeight: 396.87172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NC3=CC=CC=C3C(=O)N2N

Isomeric SMILES

CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NC3=CC=CC=C3C(=O)N2N

InChI

InChI=1S/C15H13ClN4O3S2/c1-8-6-13(12(24)7-10(8)16)25(22,23)19-15-18-11-5-3-2-4-9(11)14(21)20(15)17/h2-7,24H,17H2,1H3,(H,18,19)