4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-N-[4-(trifluoromethyloxy)phenyl]-1H-quinazoline-7-carboxamide

Systemtic Name: 4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-N-[4-(trifluoromethyloxy)phenyl]-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-4-oxo-2-thioxo-N-[4-(trifluoromethoxy)phenyl]-1H-quinazoline-7-carboxamide CAS Name: 4-oxo-3-prop-2-enyl-2-sulfanylidene-N-[4-(trifluoromethoxy)phenyl]-1H-quinazoline-7-carboxamide IUPAC Name: 4-oxo-3-prop-2-enyl-2-sulfanylidene-N-[4-(trifluoromethoxy)phenyl]-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-4-keto-2-thioxo-N-[4-(trifluoromethoxy)phenyl]-1H-quinazoline-7-carboxamide Formula: C19H14F3N3O3S MolecularWeight: 421.39297

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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)OC(F)(F)F)NC1=S

Isomeric SMILES

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

InChI

InChI=1S/C19H14F3N3O3S/c1-2-9-25-17(27)14-8-3-11(10-15(14)24-18(25)29)16(26)23-12-4-6-13(7-5-12)28-19(20,21)22/h2-8,10H,1,9H2,(H,23,26)(H,24,29)