2-(3-methyl-4-nitro-pyrazol-1-yl)-N-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)ethanamide

Systemtic Name: 2-(3-methyl-4-nitro-pyrazol-1-yl)-N-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)ethanamide Openeye Name: 2-(3-methyl-4-nitro-pyrazol-1-yl)-N-(4-oxo-2-thioxo-1H-quinazolin-3-yl)acetamide CAS Name: 2-(3-methyl-4-nitro-1-pyrazolyl)-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)acetamide IUPAC Name: 2-(3-methyl-4-nitropyrazol-1-yl)-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)acetamide Traditional Name: N-(4-keto-2-thioxo-1H-quinazolin-3-yl)-2-(3-methyl-4-nitro-pyrazol-1-yl)acetamide Formula: C14H12N6O4S MolecularWeight: 360.34788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N6O4S/c1-8-11(20(23)24)6-18(16-8)7-12(21)17-19-13(22)9-4-2-3-5-10(9)15-14(19)25/h2-6H,7H2,1H3,(H,15,25)(H,17,21)