5-[[2,6-bis(chloranyl)pyridin-4-yl]methylsulfanyl]-4-phenyl-1,2,4-triazol-3-olate

Systemtic Name: 5-[[2,6-bis(chloranyl)pyridin-4-yl]methylsulfanyl]-4-phenyl-1,2,4-triazol-3-olate Openeye Name: 5-[(2,6-dichloro-4-pyridyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-olate CAS Name: 5-[(2,6-dichloro-4-pyridinyl)methylthio]-4-phenyl-1,2,4-triazol-3-olate IUPAC Name: 5-[(2,6-dichloropyridin-4-yl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-olate Traditional Name: 5-[(2,6-dichloro-4-pyridyl)methylthio]-4-phenyl-1,2,4-triazol-3-olate Formula: C14H9Cl2N4OS- MolecularWeight: 352.21846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=NC(=C3)Cl)Cl)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=NC(=C3)Cl)Cl)[O-]

InChI

InChI=1S/C14H10Cl2N4OS/c15-11-6-9(7-12(16)17-11)8-22-14-19-18-13(21)20(14)10-4-2-1-3-5-10/h1-7H,8H2,(H,18,21)/p-1