ethyl 5-[(4-oxidanylidene-1H-quinazolin-2-yl)carbothioylamino]-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[(4-oxidanylidene-1H-quinazolin-2-yl)carbothioylamino]-1H-pyrazole-4-carboxylate Openeye Name: ethyl 5-[(4-oxo-1H-quinazoline-2-carbothioyl)amino]-1H-pyrazole-4-carboxylate CAS Name: 5-[[(4-oxo-1H-quinazolin-2-yl)-sulfanylidenemethyl]amino]-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-oxo-1H-quinazoline-2-carbothioyl)amino]-1H-pyrazole-4-carboxylate Traditional Name: 5-[(4-keto-1H-quinazoline-2-carbothioyl)amino]-1H-pyrazole-4-carboxylic acid ethyl ester Formula: C15H13N5O3S MolecularWeight: 343.36042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NN=C1)NC(=S)C2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CCOC(=O)C1=C(NN=C1)NC(=S)C2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C15H13N5O3S/c1-2-23-15(22)9-7-16-20-11(9)19-14(24)12-17-10-6-4-3-5-8(10)13(21)18-12/h3-7H,2H2,1H3,(H,17,18,21)(H2,16,19,20,24)