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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-(3-chloro-4-fluoro-phenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(3-chloro-4-fluorophenyl)-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-N-(3-chloro-4-fluoro-phenyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C18H13ClFN3O2S MolecularWeight: 389.831123

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)F)Cl)NC1=S

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)F)Cl)NC1=S

InChI

InChI=1S/C18H13ClFN3O2S/c1-2-7-23-17(25)12-5-3-10(8-15(12)22-18(23)26)16(24)21-11-4-6-14(20)13(19)9-11/h2-6,8-9H,1,7H2,(H,21,24)(H,22,26)