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

Systemtic Name: N-[3,4-bis(fluoranyl)phenyl]-3-methyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(3,4-difluorophenyl)-3-methyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(3,4-difluorophenyl)-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(3,4-difluorophenyl)-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(3,4-difluorophenyl)-4-keto-3-methyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C16H11F2N3O2S MolecularWeight: 347.339246

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)F)F)NC1=S

Isomeric SMILES

CN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)F)F)NC1=S

InChI

InChI=1S/C16H11F2N3O2S/c1-21-15(23)10-4-2-8(6-13(10)20-16(21)24)14(22)19-9-3-5-11(17)12(18)7-9/h2-7H,1H3,(H,19,22)(H,20,24)