3-(4-chloranyl-1-methyl-pyrazol-3-yl)-4-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(4-chloranyl-1-methyl-pyrazol-3-yl)-4-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-(4-chloro-1-methyl-pyrazol-3-yl)-4-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(4-chloro-1-methyl-3-pyrazolyl)-4-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(4-chloro-1-methylpyrazol-3-yl)-4-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(4-chloro-1-methyl-pyrazol-3-yl)-4-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione Formula: C12H9ClFN5S MolecularWeight: 309.749763

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=NNC(=S)N2C3=CC=C(C=C3)F)Cl

Isomeric SMILES

CN1C=C(C(=N1)C2=NNC(=S)N2C3=CC=C(C=C3)F)Cl

InChI

InChI=1S/C12H9ClFN5S/c1-18-6-9(13)10(17-18)11-15-16-12(20)19(11)8-4-2-7(14)3-5-8/h2-6H,1H3,(H,16,20)