2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(4-oxidanylidene-2-thiophen-2-yl-quinazolin-3-yl)ethanamide

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(4-oxidanylidene-2-thiophen-2-yl-quinazolin-3-yl)ethanamide Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[4-oxo-2-(2-thienyl)quinazolin-3-yl]acetamide CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-(4-oxo-2-thiophen-2-yl-3-quinazolinyl)acetamide IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-oxo-2-thiophen-2-ylquinazolin-3-yl)acetamide Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[4-keto-2-(2-thienyl)quinazolin-3-yl]acetamide Formula: C19H16N6O4S MolecularWeight: 424.43314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NN2C(=NC3=CC=CC=C3C2=O)C4=CC=CS4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NN2C(=NC3=CC=CC=C3C2=O)C4=CC=CS4)C)[N+](=O)[O-]

InChI

InChI=1S/C19H16N6O4S/c1-11-17(25(28)29)12(2)23(21-11)10-16(26)22-24-18(15-8-5-9-30-15)20-14-7-4-3-6-13(14)19(24)27/h3-9H,10H2,1-2H3,(H,22,26)