5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[(4-pyridin-1-ium-4-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-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Openeye Name: 5-[(2-methylthiazol-4-yl)methyl]-3-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione CAS Name: 5-[(2-methyl-4-thiazolyl)methyl]-3-[[4-(4-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-1,3,4-oxadiazole-2-thione IUPAC Name: 5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Traditional Name: 5-[(2-methylthiazol-4-yl)methyl]-3-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Formula: C17H22N6OS2+2 MolecularWeight: 390.52618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N6OS2/c1-13-19-14(11-26-13)10-16-20-23(17(25)24-16)12-21-6-8-22(9-7-21)15-2-4-18-5-3-15/h2-5,11H,6-10,12H2,1H3/p+2