5-(4-chloranyl-2,5-dimethyl-pyrazol-3-yl)-4-(4-fluorophenyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 5-(4-chloranyl-2,5-dimethyl-pyrazol-3-yl)-4-(4-fluorophenyl)-1,2,4-triazole-3-thiolate Openeye Name: 5-(4-chloro-2,5-dimethyl-pyrazol-3-yl)-4-(4-fluorophenyl)-1,2,4-triazole-3-thiolate CAS Name: 5-(4-chloro-2,5-dimethyl-3-pyrazolyl)-4-(4-fluorophenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 5-(4-chloro-2,5-dimethylpyrazol-3-yl)-4-(4-fluorophenyl)-1,2,4-triazole-3-thiolate Traditional Name: 5-(4-chloro-2,5-dimethyl-pyrazol-3-yl)-4-(4-fluorophenyl)-1,2,4-triazole-3-thiolate Formula: C13H10ClFN5S- MolecularWeight: 322.768403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1Cl)C2=NN=C(N2C3=CC=C(C=C3)F)[S-])C

Isomeric SMILES

CC1=NN(C(=C1Cl)C2=NN=C(N2C3=CC=C(C=C3)F)[S-])C

InChI

InChI=1S/C13H11ClFN5S/c1-7-10(14)11(19(2)18-7)12-16-17-13(21)20(12)9-5-3-8(15)4-6-9/h3-6H,1-2H3,(H,17,21)/p-1