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

Systemtic Name: 3-[[2,6-bis(chloranyl)pyridin-4-yl]methylsulfanyl]-4-phenyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(2,6-dichloro-4-pyridyl)methylsulfanyl]-4-phenyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(2,6-dichloro-4-pyridinyl)methylthio]-4-phenyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(2,6-dichloropyridin-4-yl)methylsulfanyl]-4-phenyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(2,6-dichloro-4-pyridyl)methylthio]-4-phenyl-1H-1,2,4-triazol-5-one Formula: C14H10Cl2N4OS MolecularWeight: 353.2264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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)