S-pyridin-2-yl 3-methylsulfanyl-1-phenyl-pyrazole-4-carbothioate

Systemtic Name: S-pyridin-2-yl 3-methylsulfanyl-1-phenyl-pyrazole-4-carbothioate Openeye Name: S-(2-pyridyl) 3-methylsulfanyl-1-phenyl-pyrazole-4-carbothioate CAS Name: 3-(methylthio)-1-phenyl-4-pyrazolecarbothioic acid S-(2-pyridinyl) ester IUPAC Name: S-pyridin-2-yl 3-methylsulfanyl-1-phenylpyrazole-4-carbothioate Traditional Name: 3-(methylthio)-1-phenyl-pyrazole-4-carbothioic acid S-(2-pyridyl) ester Formula: C16H13N3OS2 MolecularWeight: 327.42392

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN(C=C1C(=O)SC2=CC=CC=N2)C3=CC=CC=C3

Isomeric SMILES

CSC1=NN(C=C1C(=O)SC2=CC=CC=N2)C3=CC=CC=C3

InChI

InChI=1S/C16H13N3OS2/c1-21-15-13(16(20)22-14-9-5-6-10-17-14)11-19(18-15)12-7-3-2-4-8-12/h2-11H,1H3