2,5-dimethyl-4-nitro-N-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)pyrazole-3-carboxamide

Systemtic Name: 2,5-dimethyl-4-nitro-N-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)pyrazole-3-carboxamide Openeye Name: 2,5-dimethyl-4-nitro-N-(4-oxo-2-thioxo-1H-quinazolin-3-yl)pyrazole-3-carboxamide CAS Name: 2,5-dimethyl-4-nitro-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-3-pyrazolecarboxamide IUPAC Name: 2,5-dimethyl-4-nitro-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)pyrazole-3-carboxamide Traditional Name: N-(4-keto-2-thioxo-1H-quinazolin-3-yl)-2,5-dimethyl-4-nitro-pyrazole-3-carboxamide Formula: C14H12N6O4S MolecularWeight: 360.34788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1[N+](=O)[O-])C(=O)NN2C(=O)C3=CC=CC=C3NC2=S)C

Isomeric SMILES

CC1=NN(C(=C1[N+](=O)[O-])C(=O)NN2C(=O)C3=CC=CC=C3NC2=S)C

InChI

InChI=1S/C14H12N6O4S/c1-7-10(20(23)24)11(18(2)16-7)12(21)17-19-13(22)8-5-3-4-6-9(8)15-14(19)25/h3-6H,1-2H3,(H,15,25)(H,17,21)