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

Systemtic Name: 5-(3,5-dimethoxyphenyl)-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Openeye Name: 5-(3,5-dimethoxyphenyl)-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione CAS Name: 5-(3,5-dimethoxyphenyl)-3-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-1,3,4-oxadiazole-2-thione IUPAC Name: 5-(3,5-dimethoxyphenyl)-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Traditional Name: 5-(3,5-dimethoxyphenyl)-3-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-1,3,4-oxadiazole-2-thione Formula: C19H23N6O3S+ MolecularWeight: 415.48932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C2=NN(C(=S)O2)C[NH+]3CCN(CC3)C4=NC=CC=N4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C2=NN(C(=S)O2)C[NH+]3CCN(CC3)C4=NC=CC=N4)OC

InChI

InChI=1S/C19H22N6O3S/c1-26-15-10-14(11-16(12-15)27-2)17-22-25(19(29)28-17)13-23-6-8-24(9-7-23)18-20-4-3-5-21-18/h3-5,10-12H,6-9,13H2,1-2H3/p+1