3-(2-chlorophenyl)-4-(1,3-dimethylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(2-chlorophenyl)-4-(1,3-dimethylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-(2-chlorophenyl)-4-(1,3-dimethylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(2-chlorophenyl)-4-(1,3-dimethyl-4-pyrazolyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(2-chlorophenyl)-4-(1,3-dimethylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(2-chlorophenyl)-4-(1,3-dimethylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione Formula: C13H12ClN5S MolecularWeight: 305.78588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1N2C(=NNC2=S)C3=CC=CC=C3Cl)C

Isomeric SMILES

CC1=NN(C=C1N2C(=NNC2=S)C3=CC=CC=C3Cl)C

InChI

InChI=1S/C13H12ClN5S/c1-8-11(7-18(2)17-8)19-12(15-16-13(19)20)9-5-3-4-6-10(9)14/h3-7H,1-2H3,(H,16,20)