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

Systemtic Name: N-[(4-fluoranyl-3-methyl-phenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[(4-fluoro-3-methyl-phenyl)methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[(4-fluoro-3-methylphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[(4-fluoro-3-methylphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(4-fluoro-3-methyl-benzyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C17H14FN3O2S MolecularWeight: 343.375363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CNC(=O)C2=CC3=C(C=C2)C(=O)NC(=S)N3)F

Isomeric SMILES

CC1=C(C=CC(=C1)CNC(=O)C2=CC3=C(C=C2)C(=O)NC(=S)N3)F

InChI

InChI=1S/C17H14FN3O2S/c1-9-6-10(2-5-13(9)18)8-19-15(22)11-3-4-12-14(7-11)20-17(24)21-16(12)23/h2-7H,8H2,1H3,(H,19,22)(H2,20,21,23,24)