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

Systemtic Name: N-[4-bromanyl-3-(trifluoromethyl)phenyl]-3-ethyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[4-bromo-3-(trifluoromethyl)phenyl]-3-ethyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[4-bromo-3-(trifluoromethyl)phenyl]-3-ethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[4-bromo-3-(trifluoromethyl)phenyl]-3-ethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[4-bromo-3-(trifluoromethyl)phenyl]-3-ethyl-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C18H13BrF3N3O2S MolecularWeight: 472.27893

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)Br)C(F)(F)F)NC1=S

Isomeric SMILES

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)Br)C(F)(F)F)NC1=S

InChI

InChI=1S/C18H13BrF3N3O2S/c1-2-25-16(27)11-5-3-9(7-14(11)24-17(25)28)15(26)23-10-4-6-13(19)12(8-10)18(20,21)22/h3-8H,2H2,1H3,(H,23,26)(H,24,28)