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

Systemtic Name: 3-[(3,4-diethoxyphenyl)methyl]-4-(2,5-dimethylphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(3,4-diethoxyphenyl)methyl]-4-(2,5-dimethylphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-[(3,4-diethoxyphenyl)methyl]-4-(2,5-dimethylphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(3,4-diethoxyphenyl)methyl]-4-(2,5-dimethylphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(3,4-diethoxybenzyl)-4-(2,5-dimethylphenyl)-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)N2C3=C(C=CC(=C3)C)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CC2=NNC(=S)N2C3=C(C=CC(=C3)C)C)OCC

InChI

InChI=1S/C21H25N3O2S/c1-5-25-18-10-9-16(12-19(18)26-6-2)13-20-22-23-21(27)24(20)17-11-14(3)7-8-15(17)4/h7-12H,5-6,13H2,1-4H3,(H,23,27)