2-phenyl-4-phenylsulfanyl-pyrazole-3-carboxylate

Systemtic Name: 2-phenyl-4-phenylsulfanyl-pyrazole-3-carboxylate Openeye Name: 2-phenyl-4-phenylsulfanyl-pyrazole-3-carboxylate CAS Name: 2-phenyl-4-(phenylthio)-3-pyrazolecarboxylate IUPAC Name: 2-phenyl-4-phenylsulfanylpyrazole-3-carboxylate Traditional Name: 2-phenyl-4-(phenylthio)pyrazole-3-carboxylate Formula: C16H11N2O2S- MolecularWeight: 295.33574

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C=N2)SC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C=N2)SC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C16H12N2O2S/c19-16(20)15-14(21-13-9-5-2-6-10-13)11-17-18(15)12-7-3-1-4-8-12/h1-11H,(H,19,20)/p-1