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

Systemtic Name: 5-(4-methylphenyl)-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole-2-thione Openeye Name: 5-(p-tolyl)-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole-2-thione CAS Name: 5-(4-methylphenyl)-3-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-1,3,4-oxadiazole-2-thione IUPAC Name: 5-(4-methylphenyl)-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole-2-thione Traditional Name: 5-(p-tolyl)-3-[[4-(2-pyrimidyl)piperazino]methyl]-1,3,4-oxadiazole-2-thione Formula: C18H20N6OS MolecularWeight: 368.456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=S)O2)CN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=S)O2)CN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C18H20N6OS/c1-14-3-5-15(6-4-14)16-21-24(18(26)25-16)13-22-9-11-23(12-10-22)17-19-7-2-8-20-17/h2-8H,9-13H2,1H3