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

Systemtic Name: 4-(2-methoxyethyl)-5-(3-methylphenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4-(2-methoxyethyl)-5-(m-tolyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 4-(2-methoxyethyl)-5-(3-methylphenyl)-2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-(2-methoxyethyl)-5-(3-methylphenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4-(2-methoxyethyl)-5-(m-tolyl)-2-[[4-(2-pyrimidyl)piperazino]methyl]-1,2,4-triazole-3-thione Formula: C21H27N7OS MolecularWeight: 425.55038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN(C(=S)N2CCOC)CN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN(C(=S)N2CCOC)CN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H27N7OS/c1-17-5-3-6-18(15-17)19-24-28(21(30)27(19)13-14-29-2)16-25-9-11-26(12-10-25)20-22-7-4-8-23-20/h3-8,15H,9-14,16H2,1-2H3