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

Systemtic Name: 5-[(3,4-diethoxyphenyl)methyl]-4-(2-methylphenyl)-1,2,4-triazole-3-thiolate Openeye Name: 5-[(3,4-diethoxyphenyl)methyl]-4-(o-tolyl)-1,2,4-triazole-3-thiolate CAS Name: 5-[(3,4-diethoxyphenyl)methyl]-4-(2-methylphenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 5-[(3,4-diethoxyphenyl)methyl]-4-(2-methylphenyl)-1,2,4-triazole-3-thiolate Traditional Name: 5-(3,4-diethoxybenzyl)-4-(o-tolyl)-1,2,4-triazole-3-thiolate Formula: C20H22N3O2S- MolecularWeight: 368.47258

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CC2=NN=C(N2C3=CC=CC=C3C)[S-])OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CC2=NN=C(N2C3=CC=CC=C3C)[S-])OCC

InChI

InChI=1S/C20H23N3O2S/c1-4-24-17-11-10-15(12-18(17)25-5-2)13-19-21-22-20(26)23(19)16-9-7-6-8-14(16)3/h6-12H,4-5,13H2,1-3H3,(H,22,26)/p-1