4-(3-chloranyl-4-methyl-phenyl)-3-tridecyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(3-chloranyl-4-methyl-phenyl)-3-tridecyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-(3-chloro-4-methyl-phenyl)-3-tridecyl-1H-1,2,4-triazole-5-thione CAS Name: 4-(3-chloro-4-methylphenyl)-3-tridecyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(3-chloro-4-methylphenyl)-3-tridecyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-(3-chloro-4-methyl-phenyl)-3-tridecyl-1H-1,2,4-triazole-5-thione Formula: C22H34ClN3S MolecularWeight: 408.04346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1=NNC(=S)N1C2=CC(=C(C=C2)C)Cl

Isomeric SMILES

CCCCCCCCCCCCCC1=NNC(=S)N1C2=CC(=C(C=C2)C)Cl

InChI

InChI=1S/C22H34ClN3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-21-24-25-22(27)26(21)19-16-15-18(2)20(23)17-19/h15-17H,3-14H2,1-2H3,(H,25,27)