(5-methyl-2-phenyl-pyrazol-3-yl) 2-ethylsulfanylpyridine-3-carboxylate

Systemtic Name: (5-methyl-2-phenyl-pyrazol-3-yl) 2-ethylsulfanylpyridine-3-carboxylate Openeye Name: (5-methyl-2-phenyl-pyrazol-3-yl) 2-ethylsulfanylpyridine-3-carboxylate CAS Name: 2-(ethylthio)-3-pyridinecarboxylic acid (5-methyl-2-phenyl-3-pyrazolyl) ester IUPAC Name: (5-methyl-2-phenylpyrazol-3-yl) 2-ethylsulfanylpyridine-3-carboxylate Traditional Name: 2-(ethylthio)nicotinic acid (5-methyl-2-phenyl-pyrazol-3-yl) ester Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C=CC=N1)C(=O)OC2=CC(=NN2C3=CC=CC=C3)C

Isomeric SMILES

CCSC1=C(C=CC=N1)C(=O)OC2=CC(=NN2C3=CC=CC=C3)C

InChI

InChI=1S/C18H17N3O2S/c1-3-24-17-15(10-7-11-19-17)18(22)23-16-12-13(2)20-21(16)14-8-5-4-6-9-14/h4-12H,3H2,1-2H3