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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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