N-[3-cyano-4-[2,2,2-tris(fluoranyl)ethoxy]phenyl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[3-cyano-4-[2,2,2-tris(fluoranyl)ethoxy]phenyl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H15F3N4O3S MolecularWeight: 460.42901

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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)OCC(F)(F)F)C#N)NC1=S

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)OCC(F)(F)F)C#N)NC1=S

InChI

InChI=1S/C21H15F3N4O3S/c1-2-7-28-19(30)15-5-3-12(9-16(15)27-20(28)32)18(29)26-14-4-6-17(13(8-14)10-25)31-11-21(22,23)24/h2-6,8-9H,1,7,11H2,(H,26,29)(H,27,32)