3-[[4-(4-bromanyl-2-chloranyl-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-1,3,4-oxadiazole-2-thione

Systemtic Name: 3-[[4-(4-bromanyl-2-chloranyl-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-1,3,4-oxadiazole-2-thione Openeye Name: 3-[[4-(4-bromo-2-chloro-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-1,3,4-oxadiazole-2-thione CAS Name: 3-[[4-(4-bromo-2-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-5-methyl-1,3,4-oxadiazole-2-thione IUPAC Name: 3-[[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-1,3,4-oxadiazole-2-thione Traditional Name: 3-[[4-(4-bromo-2-chloro-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-1,3,4-oxadiazole-2-thione Formula: C14H17BrClN4O3S2+ MolecularWeight: 468.79678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)O1)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

CC1=NN(C(=S)O1)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C14H16BrClN4O3S2/c1-10-17-20(14(24)23-10)9-18-4-6-19(7-5-18)25(21,22)13-3-2-11(15)8-12(13)16/h2-3,8H,4-7,9H2,1H3/p+1