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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C(=NNC2=S)CC3=CC(=C(C=C3)OCC)OCC

Isomeric SMILES

CCC1=CC=CC=C1N2C(=NNC2=S)CC3=CC(=C(C=C3)OCC)OCC

InChI

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