3-[(3,4-diethoxyphenyl)methyl]-4-[(4-methylphenyl)methyl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[(3,4-diethoxyphenyl)methyl]-4-[(4-methylphenyl)methyl]-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(3,4-diethoxyphenyl)methyl]-4-(p-tolylmethyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-[(3,4-diethoxyphenyl)methyl]-4-[(4-methylphenyl)methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(3,4-diethoxyphenyl)methyl]-4-[(4-methylphenyl)methyl]-1H-1,2,4-triazole-5-thione Traditional Name: 3-(3,4-diethoxybenzyl)-4-(4-methylbenzyl)-1H-1,2,4-triazole-5-thione Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CC2=NNC(=S)N2CC3=CC=C(C=C3)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CC2=NNC(=S)N2CC3=CC=C(C=C3)C)OCC

InChI

InChI=1S/C21H25N3O2S/c1-4-25-18-11-10-17(12-19(18)26-5-2)13-20-22-23-21(27)24(20)14-16-8-6-15(3)7-9-16/h6-12H,4-5,13-14H2,1-3H3,(H,23,27)