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

Systemtic Name: N-[2-nitro-4-(trifluoromethyl)phenyl]-N'-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)ethanediamide Openeye Name: N-[2-nitro-4-(trifluoromethyl)phenyl]-N'-(4-oxo-2-thioxo-1H-quinazolin-3-yl)oxamide CAS Name: N-[2-nitro-4-(trifluoromethyl)phenyl]-N'-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)oxamide IUPAC Name: N-[2-nitro-4-(trifluoromethyl)phenyl]-N'-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)oxamide Traditional Name: N'-(4-keto-2-thioxo-1H-quinazolin-3-yl)-N-[2-nitro-4-(trifluoromethyl)phenyl]oxamide Formula: C17H10F3N5O5S MolecularWeight: 453.35201

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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)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)NC(=O)C(=O)NC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H10F3N5O5S/c18-17(19,20)8-5-6-11(12(7-8)25(29)30)21-13(26)14(27)23-24-15(28)9-3-1-2-4-10(9)22-16(24)31/h1-7H,(H,21,26)(H,22,31)(H,23,27)