4-(1,3-dimethylpyrazol-4-yl)-3-[(4-fluoranylphenoxy)methyl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(1,3-dimethylpyrazol-4-yl)-3-[(4-fluoranylphenoxy)methyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-(1,3-dimethylpyrazol-4-yl)-3-[(4-fluorophenoxy)methyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-(1,3-dimethyl-4-pyrazolyl)-3-[(4-fluorophenoxy)methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(1,3-dimethylpyrazol-4-yl)-3-[(4-fluorophenoxy)methyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-(1,3-dimethylpyrazol-4-yl)-3-[(4-fluorophenoxy)methyl]-1H-1,2,4-triazole-5-thione Formula: C14H14FN5OS MolecularWeight: 319.357263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1N2C(=NNC2=S)COC3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=NN(C=C1N2C(=NNC2=S)COC3=CC=C(C=C3)F)C

InChI

InChI=1S/C14H14FN5OS/c1-9-12(7-19(2)18-9)20-13(16-17-14(20)22)8-21-11-5-3-10(15)4-6-11/h3-7H,8H2,1-2H3,(H,17,22)