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

Systemtic Name: 3-(3-chloranyl-4-fluoranyl-phenyl)-4-oxidanylidene-N-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(3-chloro-4-fluoro-phenyl)-4-oxo-N-(3-pyridylmethyl)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(3-chloro-4-fluorophenyl)-4-oxo-N-(3-pyridinylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(3-chloro-4-fluorophenyl)-4-oxo-N-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(3-chloro-4-fluoro-phenyl)-4-keto-N-(3-pyridylmethyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H14ClFN4O2S MolecularWeight: 440.877863

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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)Cl

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)Cl

InChI

InChI=1S/C21H14ClFN4O2S/c22-16-9-14(4-6-17(16)23)27-20(29)15-5-3-13(8-18(15)26-21(27)30)19(28)25-11-12-2-1-7-24-10-12/h1-10H,11H2,(H,25,28)(H,26,30)