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

Systemtic Name: 5-(4-methylphenyl)-3-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Openeye Name: 3-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]-5-(p-tolyl)-1,3,4-oxadiazole-2-thione CAS Name: 5-(4-methylphenyl)-3-[(4-methylsulfonyl-1-piperazin-1-iumyl)methyl]-1,3,4-oxadiazole-2-thione IUPAC Name: 5-(4-methylphenyl)-3-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Traditional Name: 3-[(4-mesylpiperazin-1-ium-1-yl)methyl]-5-(p-tolyl)-1,3,4-oxadiazole-2-thione Formula: C15H21N4O3S2+ MolecularWeight: 369.48224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=S)O2)C[NH+]3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=S)O2)C[NH+]3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C15H20N4O3S2/c1-12-3-5-13(6-4-12)14-16-19(15(23)22-14)11-17-7-9-18(10-8-17)24(2,20)21/h3-6H,7-11H2,1-2H3/p+1