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

Systemtic Name: 3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-5-pyridin-4-yl-1,2,4-triazol-4-amine Openeye Name: 3-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-5-(4-pyridyl)-1,2,4-triazol-4-amine CAS Name: 3-[(2-chloro-6-fluorophenyl)methylthio]-5-pyridin-4-yl-1,2,4-triazol-4-amine IUPAC Name: 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-pyridin-4-yl-1,2,4-triazol-4-amine Traditional Name: [3-[(2-chloro-6-fluoro-benzyl)thio]-5-(4-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(=C(C(=C1)Cl)CSC2=NN=C(N2N)C3=CC=NC=C3)F

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)CSC2=NN=C(N2N)C3=CC=NC=C3)F

InChI

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