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

Systemtic Name: N-(2-cyano-4-nitro-phenyl)-N'-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)ethanediamide Openeye Name: N-(2-cyano-4-nitro-phenyl)-N'-(4-oxo-2-thioxo-1H-quinazolin-3-yl)oxamide CAS Name: N-(2-cyano-4-nitrophenyl)-N'-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)oxamide IUPAC Name: N-(2-cyano-4-nitrophenyl)-N'-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)oxamide Traditional Name: N-(2-cyano-4-nitro-phenyl)-N'-(4-keto-2-thioxo-1H-quinazolin-3-yl)oxamide Formula: C17H10N6O5S MolecularWeight: 410.3635

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

Isomeric SMILES

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

InChI

InChI=1S/C17H10N6O5S/c18-8-9-7-10(23(27)28)5-6-12(9)19-14(24)15(25)21-22-16(26)11-3-1-2-4-13(11)20-17(22)29/h1-7H,(H,19,24)(H,20,29)(H,21,25)