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

Systemtic Name: N-(furan-2-ylmethyl)-4-oxidanylidene-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide Openeye Name: N-(2-furylmethyl)-4-oxo-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide CAS Name: N-(2-furanylmethyl)-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide IUPAC Name: N-(furan-2-ylmethyl)-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide Traditional Name: N-(2-furfuryl)-4-keto-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide Formula: C21H14F3N3O3S MolecularWeight: 445.41437

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=CO4)NC2=S)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=CO4)NC2=S)C(F)(F)F

InChI

InChI=1S/C21H14F3N3O3S/c22-21(23,24)13-3-1-4-14(10-13)27-19(29)16-7-6-12(9-17(16)26-20(27)31)18(28)25-11-15-5-2-8-30-15/h1-10H,11H2,(H,25,28)(H,26,31)