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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-3-ethyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-3-ethyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(3-chloro-4-fluorophenyl)-3-ethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-3-ethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-3-ethyl-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C17H13ClFN3O2S MolecularWeight: 377.820423

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)F)Cl)NC1=S

Isomeric SMILES

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)F)Cl)NC1=S

InChI

InChI=1S/C17H13ClFN3O2S/c1-2-22-16(24)11-5-3-9(7-14(11)21-17(22)25)15(23)20-10-4-6-13(19)12(18)8-10/h3-8H,2H2,1H3,(H,20,23)(H,21,25)