N-[3,4-bis(fluoranyl)phenyl]-4-oxidanylidene-3-phenyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[3,4-bis(fluoranyl)phenyl]-4-oxidanylidene-3-phenyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(3,4-difluorophenyl)-4-oxo-3-phenyl-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(3,4-difluorophenyl)-4-oxo-3-phenyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(3,4-difluorophenyl)-4-oxo-3-phenyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(3,4-difluorophenyl)-4-keto-3-phenyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H13F2N3O2S MolecularWeight: 409.408626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CC(=C(C=C4)F)F)NC2=S

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CC(=C(C=C4)F)F)NC2=S

InChI

InChI=1S/C21H13F2N3O2S/c22-16-9-7-13(11-17(16)23)24-19(27)12-6-8-15-18(10-12)25-21(29)26(20(15)28)14-4-2-1-3-5-14/h1-11H,(H,24,27)(H,25,29)