N-[(5-bromanyl-2-fluoranyl-phenyl)methyl]-3-ethyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[(5-bromanyl-2-fluoranyl-phenyl)methyl]-3-ethyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[(5-bromo-2-fluoro-phenyl)methyl]-3-ethyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[(5-bromo-2-fluorophenyl)methyl]-3-ethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[(5-bromo-2-fluorophenyl)methyl]-3-ethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(5-bromo-2-fluoro-benzyl)-3-ethyl-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C18H15BrFN3O2S MolecularWeight: 436.298003

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=C(C=CC(=C3)Br)F)NC1=S

Isomeric SMILES

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=C(C=CC(=C3)Br)F)NC1=S

InChI

InChI=1S/C18H15BrFN3O2S/c1-2-23-17(25)13-5-3-10(8-15(13)22-18(23)26)16(24)21-9-11-7-12(19)4-6-14(11)20/h3-8H,2,9H2,1H3,(H,21,24)(H,22,26)