4-[(E)-(2-chloranyl-6-fluoranyl-phenyl)methylideneamino]-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[(E)-(2-chloranyl-6-fluoranyl-phenyl)methylideneamino]-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(E)-(2-chloro-6-fluoro-phenyl)methyleneamino]-3-(3-pyridyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-3-(3-pyridinyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(E)-(2-chloro-6-fluoro-benzylidene)amino]-3-(3-pyridyl)-1H-1,2,4-triazole-5-thione Formula: C14H9ClFN5S MolecularWeight: 333.771163

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)C=NN2C(=NNC2=S)C3=CN=CC=C3)F

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)/C=N/N2C(=NNC2=S)C3=CN=CC=C3)F

InChI

InChI=1S/C14H9ClFN5S/c15-11-4-1-5-12(16)10(11)8-18-21-13(19-20-14(21)22)9-3-2-6-17-7-9/h1-8H,(H,20,22)/b18-8+