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

Systemtic Name: 3-(4-chloranyl-1-methyl-pyrazol-3-yl)-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-(4-chloro-1-methyl-pyrazol-3-yl)-4-(p-tolyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(4-chloro-1-methyl-3-pyrazolyl)-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(4-chloro-1-methylpyrazol-3-yl)-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(4-chloro-1-methyl-pyrazol-3-yl)-4-(p-tolyl)-1H-1,2,4-triazole-5-thione Formula: C13H12ClN5S MolecularWeight: 305.78588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NNC2=S)C3=NN(C=C3Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NNC2=S)C3=NN(C=C3Cl)C

InChI

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