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

Systemtic Name: 3-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-5-pyridin-3-yl-1,2,4-triazol-4-amine Openeye Name: 3-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-5-(3-pyridyl)-1,2,4-triazol-4-amine CAS Name: 3-[(3-fluoro-4-methoxyphenyl)methylthio]-5-(3-pyridinyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-5-pyridin-3-yl-1,2,4-triazol-4-amine Traditional Name: [3-[(3-fluoro-4-methoxy-benzyl)thio]-5-(3-pyridyl)-1,2,4-triazol-4-yl]amine Formula: C15H14FN5OS MolecularWeight: 331.367963

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NN=C(N2N)C3=CN=CC=C3)F

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NN=C(N2N)C3=CN=CC=C3)F

InChI

InChI=1S/C15H14FN5OS/c1-22-13-5-4-10(7-12(13)16)9-23-15-20-19-14(21(15)17)11-3-2-6-18-8-11/h2-8H,9,17H2,1H3