3-[(2,5-dimethyl-4-nitro-pyrazol-3-yl)carbonylamino]-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 3-[(2,5-dimethyl-4-nitro-pyrazol-3-yl)carbonylamino]-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-[(2,5-dimethyl-4-nitro-pyrazole-3-carbonyl)amino]-2-thioxo-quinazolin-4-olate CAS Name: 3-[[(2,5-dimethyl-4-nitro-3-pyrazolyl)-oxomethyl]amino]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-[(2,5-dimethyl-4-nitropyrazole-3-carbonyl)amino]-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-[(2,5-dimethyl-4-nitro-pyrazole-3-carbonyl)amino]-2-thioxo-quinazolin-4-olate Formula: C14H11N6O4S- MolecularWeight: 359.33994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1[N+](=O)[O-])C(=O)NN2C(=C3C=CC=CC3=NC2=S)[O-])C

Isomeric SMILES

CC1=NN(C(=C1[N+](=O)[O-])C(=O)NN2C(=C3C=CC=CC3=NC2=S)[O-])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/h3-6,22H,1-2H3,(H,17,21)/p-1