7-[(3-cyanophenyl)carbamoyl]-3-(4-fluorophenyl)-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 7-[(3-cyanophenyl)carbamoyl]-3-(4-fluorophenyl)-2-sulfanylidene-quinazolin-4-olate Openeye Name: 7-[(3-cyanophenyl)carbamoyl]-3-(4-fluorophenyl)-2-thioxo-quinazolin-4-olate CAS Name: 7-[(3-cyanoanilino)-oxomethyl]-3-(4-fluorophenyl)-2-sulfanylidene-4-quinazolinolate IUPAC Name: 7-[(3-cyanophenyl)carbamoyl]-3-(4-fluorophenyl)-2-sulfanylidenequinazolin-4-olate Traditional Name: 7-[(3-cyanophenyl)carbamoyl]-3-(4-fluorophenyl)-2-thioxo-quinazolin-4-olate Formula: C22H12FN4O2S- MolecularWeight: 415.419683

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=CC3=NC(=S)N(C(=C3C=C2)[O-])C4=CC=C(C=C4)F)C#N

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=CC3=NC(=S)N(C(=C3C=C2)[O-])C4=CC=C(C=C4)F)C#N

InChI

InChI=1S/C22H13FN4O2S/c23-15-5-7-17(8-6-15)27-21(29)18-9-4-14(11-19(18)26-22(27)30)20(28)25-16-3-1-2-13(10-16)12-24/h1-11,29H,(H,25,28)/p-1