7-[(4-chloranyl-2-fluoranyl-phenyl)carbamoyl]-3-ethyl-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 7-[(4-chloranyl-2-fluoranyl-phenyl)carbamoyl]-3-ethyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 7-[(4-chloro-2-fluoro-phenyl)carbamoyl]-3-ethyl-2-thioxo-quinazolin-4-olate CAS Name: 7-[(4-chloro-2-fluoroanilino)-oxomethyl]-3-ethyl-2-sulfanylidene-4-quinazolinolate IUPAC Name: 7-[(4-chloro-2-fluorophenyl)carbamoyl]-3-ethyl-2-sulfanylidenequinazolin-4-olate Traditional Name: 7-[(4-chloro-2-fluoro-phenyl)carbamoyl]-3-ethyl-2-thioxo-quinazolin-4-olate Formula: C17H12ClFN3O2S- MolecularWeight: 376.812483

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C2C=CC(=CC2=NC1=S)C(=O)NC3=C(C=C(C=C3)Cl)F)[O-]

Isomeric SMILES

CCN1C(=C2C=CC(=CC2=NC1=S)C(=O)NC3=C(C=C(C=C3)Cl)F)[O-]

InChI

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