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

Systemtic Name: 2-[[4-(4-hydroxyphenyl)piperazin-1-yl]methyl]-4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(4-hydroxyphenyl)piperazin-1-yl]methyl]-4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[4-(4-hydroxyphenyl)-1-piperazinyl]methyl]-4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(4-hydroxyphenyl)piperazin-1-yl]methyl]-4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(4-hydroxyphenyl)piperazino]methyl]-4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C21H26N6O2S MolecularWeight: 426.53514

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=NN(C1=S)CN2CCN(CC2)C3=CC=C(C=C3)O)C4=CC=NC=C4

Isomeric SMILES

COCCN1C(=NN(C1=S)CN2CCN(CC2)C3=CC=C(C=C3)O)C4=CC=NC=C4

InChI

InChI=1S/C21H26N6O2S/c1-29-15-14-26-20(17-6-8-22-9-7-17)23-27(21(26)30)16-24-10-12-25(13-11-24)18-2-4-19(28)5-3-18/h2-9,28H,10-16H2,1H3