2-[7-chloranyl-3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide

Systemtic Name: 2-[7-chloranyl-3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide Openeye Name: 2-[7-chloro-3-(o-tolyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(3-methylisoxazol-5-yl)propanamide CAS Name: 2-[[7-chloro-3-(2-methylphenyl)-4-oxo-2-quinazolinyl]thio]-N-(3-methyl-5-isoxazolyl)propanamide IUPAC Name: 2-[7-chloro-3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide Traditional Name: 2-[[7-chloro-4-keto-3-(o-tolyl)quinazolin-2-yl]thio]-N-(3-methylisoxazol-5-yl)propionamide Formula: C22H19ClN4O3S MolecularWeight: 454.92926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SC(C)C(=O)NC4=CC(=NO4)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SC(C)C(=O)NC4=CC(=NO4)C

InChI

InChI=1S/C22H19ClN4O3S/c1-12-6-4-5-7-18(12)27-21(29)16-9-8-15(23)11-17(16)24-22(27)31-14(3)20(28)25-19-10-13(2)26-30-19/h4-11,14H,1-3H3,(H,25,28)