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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-3-(furan-2-ylmethyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-3-(2-furylmethyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(3-chloro-4-fluorophenyl)-3-(2-furanylmethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-3-(furan-2-ylmethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-3-(2-furfuryl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C20H13ClFN3O3S MolecularWeight: 429.851923

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CC(=C(C=C4)F)Cl)NC2=S

Isomeric SMILES

C1=COC(=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CC(=C(C=C4)F)Cl)NC2=S

InChI

InChI=1S/C20H13ClFN3O3S/c21-15-9-12(4-6-16(15)22)23-18(26)11-3-5-14-17(8-11)24-20(29)25(19(14)27)10-13-2-1-7-28-13/h1-9H,10H2,(H,23,26)(H,24,29)