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

Systemtic Name: 4-(3-methoxyphenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4-(3-methoxyphenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 4-(3-methoxyphenyl)-2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-(3-methoxyphenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4-(3-methoxyphenyl)-2-[[4-(2-pyrimidyl)piperazino]methyl]-1,2,4-triazole-3-thione Formula: C18H21N7OS MolecularWeight: 383.47064

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C=NN(C2=S)CN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

COC1=CC=CC(=C1)N2C=NN(C2=S)CN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C18H21N7OS/c1-26-16-5-2-4-15(12-16)24-13-21-25(18(24)27)14-22-8-10-23(11-9-22)17-19-6-3-7-20-17/h2-7,12-13H,8-11,14H2,1H3