3-(4-fluorophenyl)-4-oxidanylidene-N-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-(4-fluorophenyl)-4-oxidanylidene-N-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(4-fluorophenyl)-4-oxo-N-(3-pyridylmethyl)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(4-fluorophenyl)-4-oxo-N-(3-pyridinylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(4-fluorophenyl)-4-oxo-N-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(4-fluorophenyl)-4-keto-N-(3-pyridylmethyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H15FN4O2S MolecularWeight: 406.432803

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC(=CN=C1)CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H15FN4O2S/c22-15-4-6-16(7-5-15)26-20(28)17-8-3-14(10-18(17)25-21(26)29)19(27)24-12-13-2-1-9-23-11-13/h1-11H,12H2,(H,24,27)(H,25,29)