N-(3-chlorophenyl)-3-(4-fluorophenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(3-chlorophenyl)-3-(4-fluorophenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(3-chlorophenyl)-3-(4-fluorophenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(3-chlorophenyl)-3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(3-chlorophenyl)-3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(3-chlorophenyl)-3-(4-fluorophenyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H13ClFN3O2S MolecularWeight: 425.863223

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC(=CC(=C1)Cl)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H13ClFN3O2S/c22-13-2-1-3-15(11-13)24-19(27)12-4-9-17-18(10-12)25-21(29)26(20(17)28)16-7-5-14(23)6-8-16/h1-11H,(H,24,27)(H,25,29)