7-[carbamothioyl(phenyl)amino]-4-methyl-5-oxidanylidene-pyrazolo[1,5-a]quinazoline-3-carboxylic acid

Systemtic Name: 7-[carbamothioyl(phenyl)amino]-4-methyl-5-oxidanylidene-pyrazolo[1,5-a]quinazoline-3-carboxylic acid Openeye Name: 7-(N-carbamothioylanilino)-4-methyl-5-oxo-pyrazolo[1,5-a]quinazoline-3-carboxylic acid CAS Name: 7-(N-carbamothioylanilino)-4-methyl-5-oxo-3-pyrazolo[1,5-a]quinazolinecarboxylic acid IUPAC Name: 7-(N-carbamothioylanilino)-4-methyl-5-oxopyrazolo[1,5-a]quinazoline-3-carboxylic acid Traditional Name: 5-keto-4-methyl-7-(N-thiocarbamoylanilino)pyrazolo[1,5-a]quinazoline-3-carboxylic acid Formula: C19H15N5O3S MolecularWeight: 393.4191

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=NN2C3=C(C1=O)C=C(C=C3)N(C4=CC=CC=C4)C(=S)N)C(=O)O

Isomeric SMILES

CN1C2=C(C=NN2C3=C(C1=O)C=C(C=C3)N(C4=CC=CC=C4)C(=S)N)C(=O)O

InChI

InChI=1S/C19H15N5O3S/c1-22-16-14(18(26)27)10-21-24(16)15-8-7-12(9-13(15)17(22)25)23(19(20)28)11-5-3-2-4-6-11/h2-10H,1H3,(H2,20,28)(H,26,27)