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

Systemtic Name: 3-[(4-chlorophenyl)methylsulfanylmethyl]-4-ethyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(4-chlorophenyl)methylsulfanylmethyl]-4-ethyl-1H-1,2,4-triazole-5-thione CAS Name: 3-[[(4-chlorophenyl)methylthio]methyl]-4-ethyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(4-chlorophenyl)methylsulfanylmethyl]-4-ethyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-[[(4-chlorobenzyl)thio]methyl]-4-ethyl-1H-1,2,4-triazole-5-thione Formula: C12H14ClN3S2 MolecularWeight: 299.84266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14ClN3S2/c1-2-16-11(14-15-12(16)17)8-18-7-9-3-5-10(13)6-4-9/h3-6H,2,7-8H2,1H3,(H,15,17)