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

Systemtic Name: 5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Openeye Name: 5-[(2-methylthiazol-4-yl)methyl]-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione CAS Name: 5-[(2-methyl-4-thiazolyl)methyl]-3-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-1,3,4-oxadiazole-2-thione IUPAC Name: 5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Traditional Name: 5-[(2-methylthiazol-4-yl)methyl]-3-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-1,3,4-oxadiazole-2-thione Formula: C16H20N7OS2+ MolecularWeight: 390.5063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CC2=NN(C(=S)O2)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=NC(=CS1)CC2=NN(C(=S)O2)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C16H19N7OS2/c1-12-19-13(10-26-12)9-14-20-23(16(25)24-14)11-21-5-7-22(8-6-21)15-17-3-2-4-18-15/h2-4,10H,5-9,11H2,1H3/p+1