ethyl 5-azanyl-1-(1-methyl-2-oxidanylidene-quinolin-4-yl)-3-methylsulfanyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-(1-methyl-2-oxidanylidene-quinolin-4-yl)-3-methylsulfanyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-(1-methyl-2-oxo-4-quinolyl)-3-methylsulfanyl-pyrazole-4-carboxylate CAS Name: 5-amino-1-(1-methyl-2-oxo-4-quinolinyl)-3-(methylthio)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-(1-methyl-2-oxoquinolin-4-yl)-3-methylsulfanylpyrazole-4-carboxylate Traditional Name: 5-amino-1-(2-keto-1-methyl-4-quinolyl)-3-(methylthio)pyrazole-4-carboxylic acid ethyl ester Formula: C17H18N4O3S MolecularWeight: 358.41482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1SC)C2=CC(=O)N(C3=CC=CC=C32)C)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1SC)C2=CC(=O)N(C3=CC=CC=C32)C)N

InChI

InChI=1S/C17H18N4O3S/c1-4-24-17(23)14-15(18)21(19-16(14)25-3)12-9-13(22)20(2)11-8-6-5-7-10(11)12/h5-9H,4,18H2,1-3H3