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

Systemtic Name: 4-(3,5-dimethoxyphenyl)-3-[(4-methylphenyl)methylsulfanylmethyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-(3,5-dimethoxyphenyl)-3-(p-tolylmethylsulfanylmethyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(3,5-dimethoxyphenyl)-3-[[(4-methylphenyl)methylthio]methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(3,5-dimethoxyphenyl)-3-[(4-methylphenyl)methylsulfanylmethyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-(3,5-dimethoxyphenyl)-3-[[(4-methylbenzyl)thio]methyl]-1H-1,2,4-triazole-5-thione Formula: C19H21N3O2S2 MolecularWeight: 387.51894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCC2=NNC(=S)N2C3=CC(=CC(=C3)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)CSCC2=NNC(=S)N2C3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C19H21N3O2S2/c1-13-4-6-14(7-5-13)11-26-12-18-20-21-19(25)22(18)15-8-16(23-2)10-17(9-15)24-3/h4-10H,11-12H2,1-3H3,(H,21,25)