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

Systemtic Name: 3-(3-chloranyl-4-fluoranyl-phenyl)-N-(3-imidazol-1-ylpropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(3-chloro-4-fluoro-phenyl)-N-(3-imidazol-1-ylpropyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(3-chloro-4-fluorophenyl)-N-[3-(1-imidazolyl)propyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(3-chloro-4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(3-chloro-4-fluoro-phenyl)-N-(3-imidazol-1-ylpropyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H17ClFN5O2S MolecularWeight: 457.908383

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)NCCCN3C=CN=C3)NC(=S)N(C2=O)C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1=CC2=C(C=C1C(=O)NCCCN3C=CN=C3)NC(=S)N(C2=O)C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C21H17ClFN5O2S/c22-16-11-14(3-5-17(16)23)28-20(30)15-4-2-13(10-18(15)26-21(28)31)19(29)25-6-1-8-27-9-7-24-12-27/h2-5,7,9-12H,1,6,8H2,(H,25,29)(H,26,31)