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

Systemtic Name: 3-methyl-4-oxidanylidene-2-sulfanylidene-N-[4-(trifluoromethyloxy)phenyl]-1H-quinazoline-7-carboxamide Openeye Name: 3-methyl-4-oxo-2-thioxo-N-[4-(trifluoromethoxy)phenyl]-1H-quinazoline-7-carboxamide CAS Name: 3-methyl-4-oxo-2-sulfanylidene-N-[4-(trifluoromethoxy)phenyl]-1H-quinazoline-7-carboxamide IUPAC Name: 3-methyl-4-oxo-2-sulfanylidene-N-[4-(trifluoromethoxy)phenyl]-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-3-methyl-2-thioxo-N-[4-(trifluoromethoxy)phenyl]-1H-quinazoline-7-carboxamide Formula: C17H12F3N3O3S MolecularWeight: 395.35569

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)OC(F)(F)F)NC1=S

Isomeric SMILES

CN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)OC(F)(F)F)NC1=S

InChI

InChI=1S/C17H12F3N3O3S/c1-23-15(25)12-7-2-9(8-13(12)22-16(23)27)14(24)21-10-3-5-11(6-4-10)26-17(18,19)20/h2-8H,1H3,(H,21,24)(H,22,27)