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

Systemtic Name: 5-(4-bromophenyl)-4-(4-ethoxyphenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 5-(4-bromophenyl)-4-(4-ethoxyphenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 5-(4-bromophenyl)-4-(4-ethoxyphenyl)-2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-(4-bromophenyl)-4-(4-ethoxyphenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 5-(4-bromophenyl)-4-p-phenetyl-2-[[4-(2-pyrimidyl)piperazino]methyl]-1,2,4-triazole-3-thione Formula: C25H26BrN7OS MolecularWeight: 552.48924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN(C2=S)CN3CCN(CC3)C4=NC=CC=N4)C5=CC=C(C=C5)Br

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN(C2=S)CN3CCN(CC3)C4=NC=CC=N4)C5=CC=C(C=C5)Br

InChI

InChI=1S/C25H26BrN7OS/c1-2-34-22-10-8-21(9-11-22)33-23(19-4-6-20(26)7-5-19)29-32(25(33)35)18-30-14-16-31(17-15-30)24-27-12-3-13-28-24/h3-13H,2,14-18H2,1H3