N-[3,5-bis(trifluoromethyl)phenyl]-3-methyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[3,5-bis(trifluoromethyl)phenyl]-3-methyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[3,5-bis(trifluoromethyl)phenyl]-3-methyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[3,5-bis(trifluoromethyl)phenyl]-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[3,5-bis(trifluoromethyl)phenyl]-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-keto-3-methyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C18H11F6N3O2S MolecularWeight: 447.354259

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H11F6N3O2S/c1-27-15(29)12-3-2-8(4-13(12)26-16(27)30)14(28)25-11-6-9(17(19,20)21)5-10(7-11)18(22,23)24/h2-7H,1H3,(H,25,28)(H,26,30)