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

Systemtic Name: 4-(4-butylphenyl)-3-[(2-methylphenyl)methylsulfanylmethyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-(4-butylphenyl)-3-(o-tolylmethylsulfanylmethyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(4-butylphenyl)-3-[[(2-methylphenyl)methylthio]methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(4-butylphenyl)-3-[(2-methylphenyl)methylsulfanylmethyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-(4-butylphenyl)-3-[[(2-methylbenzyl)thio]methyl]-1H-1,2,4-triazole-5-thione Formula: C21H25N3S2 MolecularWeight: 383.5733

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=NNC2=S)CSCC3=CC=CC=C3C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=NNC2=S)CSCC3=CC=CC=C3C

InChI

InChI=1S/C21H25N3S2/c1-3-4-8-17-10-12-19(13-11-17)24-20(22-23-21(24)25)15-26-14-18-9-6-5-7-16(18)2/h5-7,9-13H,3-4,8,14-15H2,1-2H3,(H,23,25)