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

Systemtic Name: 5-(4-chloranyl-2,5-dimethyl-pyrazol-3-yl)-4-(4-methylphenyl)-1,2,4-triazole-3-thiolate Openeye Name: 5-(4-chloro-2,5-dimethyl-pyrazol-3-yl)-4-(p-tolyl)-1,2,4-triazole-3-thiolate CAS Name: 5-(4-chloro-2,5-dimethyl-3-pyrazolyl)-4-(4-methylphenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 5-(4-chloro-2,5-dimethylpyrazol-3-yl)-4-(4-methylphenyl)-1,2,4-triazole-3-thiolate Traditional Name: 5-(4-chloro-2,5-dimethyl-pyrazol-3-yl)-4-(p-tolyl)-1,2,4-triazole-3-thiolate Formula: C14H13ClN5S- MolecularWeight: 318.80452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2[S-])C3=C(C(=NN3C)C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2[S-])C3=C(C(=NN3C)C)Cl

InChI

InChI=1S/C14H14ClN5S/c1-8-4-6-10(7-5-8)20-13(16-17-14(20)21)12-11(15)9(2)18-19(12)3/h4-7H,1-3H3,(H,17,21)/p-1