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

Systemtic Name: 4-(2-methoxyphenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-5-thiophen-2-yl-1,2,4-triazole-3-thione Openeye Name: 4-(2-methoxyphenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-5-(2-thienyl)-1,2,4-triazole-3-thione CAS Name: 4-(2-methoxyphenyl)-2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-5-thiophen-2-yl-1,2,4-triazole-3-thione IUPAC Name: 4-(2-methoxyphenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-5-thiophen-2-yl-1,2,4-triazole-3-thione Traditional Name: 4-(2-methoxyphenyl)-2-[[4-(2-pyrimidyl)piperazino]methyl]-5-(2-thienyl)-1,2,4-triazole-3-thione Formula: C22H23N7OS2 MolecularWeight: 465.59432

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=NN(C2=S)CN3CCN(CC3)C4=NC=CC=N4)C5=CC=CS5

Isomeric SMILES

COC1=CC=CC=C1N2C(=NN(C2=S)CN3CCN(CC3)C4=NC=CC=N4)C5=CC=CS5

InChI

InChI=1S/C22H23N7OS2/c1-30-18-7-3-2-6-17(18)29-20(19-8-4-15-32-19)25-28(22(29)31)16-26-11-13-27(14-12-26)21-23-9-5-10-24-21/h2-10,15H,11-14,16H2,1H3