N-[4-chloranyl-2-(trifluoromethyl)phenyl]-N'-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)ethanediamide

Systemtic Name: N-[4-chloranyl-2-(trifluoromethyl)phenyl]-N'-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)ethanediamide Openeye Name: N-[4-chloro-2-(trifluoromethyl)phenyl]-N'-(4-oxo-2-thioxo-1H-quinazolin-3-yl)oxamide CAS Name: N-[4-chloro-2-(trifluoromethyl)phenyl]-N'-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)oxamide IUPAC Name: N-[4-chloro-2-(trifluoromethyl)phenyl]-N'-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)oxamide Traditional Name: N-[4-chloro-2-(trifluoromethyl)phenyl]-N'-(4-keto-2-thioxo-1H-quinazolin-3-yl)oxamide Formula: C17H10ClF3N4O3S MolecularWeight: 442.79951

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)NC(=O)C(=O)NC3=C(C=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)NC(=O)C(=O)NC3=C(C=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C17H10ClF3N4O3S/c18-8-5-6-12(10(7-8)17(19,20)21)22-13(26)14(27)24-25-15(28)9-3-1-2-4-11(9)23-16(25)29/h1-7H,(H,22,26)(H,23,29)(H,24,27)