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

Systemtic Name: 3-methyl-4-oxidanylidene-2-sulfanylidene-N-[[2-(trifluoromethyloxy)phenyl]methyl]-1H-quinazoline-7-carboxamide Openeye Name: 3-methyl-4-oxo-2-thioxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-quinazoline-7-carboxamide CAS Name: 3-methyl-4-oxo-2-sulfanylidene-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-quinazoline-7-carboxamide IUPAC Name: 3-methyl-4-oxo-2-sulfanylidene-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-3-methyl-2-thioxo-N-[2-(trifluoromethoxy)benzyl]-1H-quinazoline-7-carboxamide Formula: C18H14F3N3O3S MolecularWeight: 409.38227

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=CC=C3OC(F)(F)F)NC1=S

Isomeric SMILES

CN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=CC=C3OC(F)(F)F)NC1=S

InChI

InChI=1S/C18H14F3N3O3S/c1-24-16(26)12-7-6-10(8-13(12)23-17(24)28)15(25)22-9-11-4-2-3-5-14(11)27-18(19,20)21/h2-8H,9H2,1H3,(H,22,25)(H,23,28)