3-[[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-(methylsulfanylmethyl)-1,3,4-oxadiazole-2-thione

Systemtic Name: 3-[[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-(methylsulfanylmethyl)-1,3,4-oxadiazole-2-thione Openeye Name: 3-[[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-(methylsulfanylmethyl)-1,3,4-oxadiazole-2-thione CAS Name: 3-[[4-(3-bromophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-5-[(methylthio)methyl]-1,3,4-oxadiazole-2-thione IUPAC Name: 3-[[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-(methylsulfanylmethyl)-1,3,4-oxadiazole-2-thione Traditional Name: 3-[[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-[(methylthio)methyl]-1,3,4-oxadiazole-2-thione Formula: C15H20BrN4O3S3+ MolecularWeight: 480.4433

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCC1=NN(C(=S)O1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

CSCC1=NN(C(=S)O1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C15H19BrN4O3S3/c1-25-10-14-17-20(15(24)23-14)11-18-5-7-19(8-6-18)26(21,22)13-4-2-3-12(16)9-13/h2-4,9H,5-8,10-11H2,1H3/p+1