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

Systemtic Name: 3-[[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-1,3,4-thiadiazole-2-thione Openeye Name: 3-[[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-1,3,4-thiadiazole-2-thione CAS Name: 3-[[4-(3-bromophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-5-methyl-1,3,4-thiadiazole-2-thione IUPAC Name: 3-[[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-1,3,4-thiadiazole-2-thione Traditional Name: 3-[[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-1,3,4-thiadiazole-2-thione Formula: C14H18BrN4O2S3+ MolecularWeight: 450.41732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)S1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

CC1=NN(C(=S)S1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C14H17BrN4O2S3/c1-11-16-19(14(22)23-11)10-17-5-7-18(8-6-17)24(20,21)13-4-2-3-12(15)9-13/h2-4,9H,5-8,10H2,1H3/p+1