ethyl 5-(4-methylsulfanylphenyl)-1-pyridin-4-yl-pyrazole-3-carboxylate hydrochloride

Systemtic Name: ethyl 5-(4-methylsulfanylphenyl)-1-pyridin-4-yl-pyrazole-3-carboxylate hydrochloride Openeye Name: ethyl 5-(4-methylsulfanylphenyl)-1-(4-pyridyl)pyrazole-3-carboxylate hydrochloride CAS Name: 5-[4-(methylthio)phenyl]-1-pyridin-4-yl-3-pyrazolecarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 5-(4-methylsulfanylphenyl)-1-pyridin-4-ylpyrazole-3-carboxylate hydrochloride Traditional Name: 5-[4-(methylthio)phenyl]-1-(4-pyridyl)pyrazole-3-carboxylic acid ethyl ester hydrochloride Formula: C18H18ClN3O2S MolecularWeight: 375.87242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)SC)C3=CC=NC=C3.Cl

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)SC)C3=CC=NC=C3.Cl

InChI

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