ethyl 4-phenylsulfanyl-1H-pyrazole-5-carboxylate

Systemtic Name: ethyl 4-phenylsulfanyl-1H-pyrazole-5-carboxylate Openeye Name: ethyl 4-phenylsulfanyl-1H-pyrazole-5-carboxylate CAS Name: 4-(phenylthio)-1H-pyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-phenylsulfanyl-1H-pyrazole-5-carboxylate Traditional Name: 4-(phenylthio)-1H-pyrazole-5-carboxylic acid ethyl ester Formula: C12H12N2O2S MolecularWeight: 248.30088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=NN1)SC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(C=NN1)SC2=CC=CC=C2

InChI

InChI=1S/C12H12N2O2S/c1-2-16-12(15)11-10(8-13-14-11)17-9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,13,14)