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

Systemtic Name: 4-(1,3-dimethylpyrazol-4-yl)-5-[(4-fluoranylphenoxy)methyl]-1,2,4-triazole-3-thiolate Openeye Name: 4-(1,3-dimethylpyrazol-4-yl)-5-[(4-fluorophenoxy)methyl]-1,2,4-triazole-3-thiolate CAS Name: 4-(1,3-dimethyl-4-pyrazolyl)-5-[(4-fluorophenoxy)methyl]-1,2,4-triazole-3-thiolate IUPAC Name: 4-(1,3-dimethylpyrazol-4-yl)-5-[(4-fluorophenoxy)methyl]-1,2,4-triazole-3-thiolate Traditional Name: 4-(1,3-dimethylpyrazol-4-yl)-5-[(4-fluorophenoxy)methyl]-1,2,4-triazole-3-thiolate Formula: C14H13FN5OS- MolecularWeight: 318.349323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1N2C(=NN=C2[S-])COC3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=NN(C=C1N2C(=NN=C2[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)/p-1