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

Systemtic Name: 5-[(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)methyl]-4-(3-methylphenyl)-1,2,4-triazole-3-thiolate Openeye Name: 5-[(4-chloro-3,5-dimethyl-pyrazol-1-yl)methyl]-4-(m-tolyl)-1,2,4-triazole-3-thiolate CAS Name: 5-[(4-chloro-3,5-dimethyl-1-pyrazolyl)methyl]-4-(3-methylphenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-4-(3-methylphenyl)-1,2,4-triazole-3-thiolate Traditional Name: 5-[(4-chloro-3,5-dimethyl-pyrazol-1-yl)methyl]-4-(m-tolyl)-1,2,4-triazole-3-thiolate Formula: C15H15ClN5S- MolecularWeight: 332.8311

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2[S-])CN3C(=C(C(=N3)C)Cl)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2[S-])CN3C(=C(C(=N3)C)Cl)C

InChI

InChI=1S/C15H16ClN5S/c1-9-5-4-6-12(7-9)21-13(17-18-15(21)22)8-20-11(3)14(16)10(2)19-20/h4-7H,8H2,1-3H3,(H,18,22)/p-1