4-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[4-(difluoromethylsulfanyl)phenyl]-3-(3-pyridyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[4-(difluoromethylthio)phenyl]-3-(3-pyridinyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[4-(difluoromethylsulfanyl)phenyl]-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[4-(difluoromethylthio)phenyl]-3-(3-pyridyl)-1H-1,2,4-triazole-5-thione Formula: C14H10F2N4S2 MolecularWeight: 336.382806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=NNC(=S)N2C3=CC=C(C=C3)SC(F)F

Isomeric SMILES

C1=CC(=CN=C1)C2=NNC(=S)N2C3=CC=C(C=C3)SC(F)F

InChI

InChI=1S/C14H10F2N4S2/c15-13(16)22-11-5-3-10(4-6-11)20-12(18-19-14(20)21)9-2-1-7-17-8-9/h1-8,13H,(H,19,21)