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

Systemtic Name: 3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-5-pyridin-2-yl-1,2,4-triazol-4-amine Openeye Name: 3-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-5-(2-pyridyl)-1,2,4-triazol-4-amine CAS Name: 3-[(2-chloro-6-fluorophenyl)methylthio]-5-(2-pyridinyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-pyridin-2-yl-1,2,4-triazol-4-amine Traditional Name: [3-[(2-chloro-6-fluoro-benzyl)thio]-5-(2-pyridyl)-1,2,4-triazol-4-yl]amine Formula: C14H11ClFN5S MolecularWeight: 335.787043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C2=NN=C(N2N)SCC3=C(C=CC=C3Cl)F

Isomeric SMILES

C1=CC=NC(=C1)C2=NN=C(N2N)SCC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C14H11ClFN5S/c15-10-4-3-5-11(16)9(10)8-22-14-20-19-13(21(14)17)12-6-1-2-7-18-12/h1-7H,8,17H2