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

Systemtic Name: N-[3,5-bis(trifluoromethyl)phenyl]-3-ethyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[3,5-bis(trifluoromethyl)phenyl]-3-ethyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[3,5-bis(trifluoromethyl)phenyl]-3-ethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[3,5-bis(trifluoromethyl)phenyl]-3-ethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[3,5-bis(trifluoromethyl)phenyl]-3-ethyl-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C19H13F6N3O2S MolecularWeight: 461.380839

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=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

CCN1C(=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/C19H13F6N3O2S/c1-2-28-16(30)13-4-3-9(5-14(13)27-17(28)31)15(29)26-12-7-10(18(20,21)22)6-11(8-12)19(23,24)25/h3-8H,2H2,1H3,(H,26,29)(H,27,31)