2-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-4-methyl-5-pyridin-4-yl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-4-methyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-4-methyl-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazinyl]methyl]-4-methyl-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-4-methyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 4-methyl-5-(4-pyridyl)-2-[(4-veratrylpiperazino)methyl]-1,2,4-triazole-3-thione Formula: C22H28N6O2S MolecularWeight: 440.56172

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)CN2CCN(CC2)CC3=CC(=C(C=C3)OC)OC)C4=CC=NC=C4

Isomeric SMILES

CN1C(=NN(C1=S)CN2CCN(CC2)CC3=CC(=C(C=C3)OC)OC)C4=CC=NC=C4

InChI

InChI=1S/C22H28N6O2S/c1-25-21(18-6-8-23-9-7-18)24-28(22(25)31)16-27-12-10-26(11-13-27)15-17-4-5-19(29-2)20(14-17)30-3/h4-9,14H,10-13,15-16H2,1-3H3