3-(3-chloranyl-4-fluoranyl-phenyl)-N-(3,4-dimethylphenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-(3-chloranyl-4-fluoranyl-phenyl)-N-(3,4-dimethylphenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(3-chloro-4-fluoro-phenyl)-N-(3,4-dimethylphenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(3-chloro-4-fluorophenyl)-N-(3,4-dimethylphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(3-chloro-4-fluorophenyl)-N-(3,4-dimethylphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(3-chloro-4-fluoro-phenyl)-N-(3,4-dimethylphenyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C23H17ClFN3O2S MolecularWeight: 453.916383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC(=C(C=C4)F)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC(=C(C=C4)F)Cl)C

InChI

InChI=1S/C23H17ClFN3O2S/c1-12-3-5-15(9-13(12)2)26-21(29)14-4-7-17-20(10-14)27-23(31)28(22(17)30)16-6-8-19(25)18(24)11-16/h3-11H,1-2H3,(H,26,29)(H,27,31)