(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 1-methylpyrazole-4-carboxylate

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 1-methylpyrazole-4-carboxylate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl 1-methylpyrazole-4-carboxylate CAS Name: 1-methyl-4-pyrazolecarboxylic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl 1-methylpyrazole-4-carboxylate Traditional Name: 1-methylpyrazole-4-carboxylic acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C16H14ClN3O2S MolecularWeight: 347.81926

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C(=O)OCC2=C(N=C3C=C(C=CC3=C2)SC)Cl

Isomeric SMILES

CN1C=C(C=N1)C(=O)OCC2=C(N=C3C=C(C=CC3=C2)SC)Cl

InChI

InChI=1S/C16H14ClN3O2S/c1-20-8-12(7-18-20)16(21)22-9-11-5-10-3-4-13(23-2)6-14(10)19-15(11)17/h3-8H,9H2,1-2H3