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

Systemtic Name: 3-(4-chloranyl-1-methyl-pyrazol-3-yl)-4-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-(4-chloro-1-methyl-pyrazol-3-yl)-4-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(4-chloro-1-methyl-3-pyrazolyl)-4-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(4-chloro-1-methylpyrazol-3-yl)-4-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(4-chloro-1-methyl-pyrazol-3-yl)-4-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione Formula: C13H12ClN5OS MolecularWeight: 321.78528

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=NNC(=S)N2C3=CC=CC=C3OC)Cl

Isomeric SMILES

CN1C=C(C(=N1)C2=NNC(=S)N2C3=CC=CC=C3OC)Cl

InChI

InChI=1S/C13H12ClN5OS/c1-18-7-8(14)11(17-18)12-15-16-13(21)19(12)9-5-3-4-6-10(9)20-2/h3-7H,1-2H3,(H,16,21)