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

Systemtic Name: 4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-N-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-4-oxo-2-thioxo-N-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide CAS Name: 4-oxo-3-prop-2-enyl-2-sulfanylidene-N-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide IUPAC Name: 4-oxo-3-prop-2-enyl-2-sulfanylidene-N-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-4-keto-2-thioxo-N-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide Formula: C19H14F3N3O2S MolecularWeight: 405.39357

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14F3N3O2S/c1-2-8-25-17(27)14-7-6-11(9-15(14)24-18(25)28)16(26)23-13-5-3-4-12(10-13)19(20,21)22/h2-7,9-10H,1,8H2,(H,23,26)(H,24,28)