5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione

Systemtic Name: 5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-2-[[4-(2-pyrimidyl)piperazino]methyl]-1,2,4-triazole-3-thione Formula: C20H23N7O2S MolecularWeight: 425.50732

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)CN2CCN(CC2)C3=NC=CC=N3)C4COC5=CC=CC=C5O4

Isomeric SMILES

CN1C(=NN(C1=S)CN2CCN(CC2)C3=NC=CC=N3)C4COC5=CC=CC=C5O4

InChI

InChI=1S/C20H23N7O2S/c1-24-18(17-13-28-15-5-2-3-6-16(15)29-17)23-27(20(24)30)14-25-9-11-26(12-10-25)19-21-7-4-8-22-19/h2-8,17H,9-14H2,1H3