4-ethyl-3-[(4-methylphenyl)methylsulfanylmethyl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-ethyl-3-[(4-methylphenyl)methylsulfanylmethyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-ethyl-3-(p-tolylmethylsulfanylmethyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-ethyl-3-[[(4-methylphenyl)methylthio]methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-ethyl-3-[(4-methylphenyl)methylsulfanylmethyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-ethyl-3-[[(4-methylbenzyl)thio]methyl]-1H-1,2,4-triazole-5-thione Formula: C13H17N3S2 MolecularWeight: 279.42418

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NNC1=S)CSCC2=CC=C(C=C2)C

Isomeric SMILES

CCN1C(=NNC1=S)CSCC2=CC=C(C=C2)C

InChI

InChI=1S/C13H17N3S2/c1-3-16-12(14-15-13(16)17)9-18-8-11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,15,17)