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

Systemtic Name: 5-(methylamino)-3-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione Openeye Name: 5-(methylamino)-3-[[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione CAS Name: 5-(methylamino)-3-[[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1,3,4-thiadiazole-2-thione IUPAC Name: 5-(methylamino)-3-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione Traditional Name: 5-(methylamino)-3-[(4-tosylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione Formula: C15H22N5O2S3+ MolecularWeight: 400.56248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C(=S)SC(=N3)NC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C(=S)SC(=N3)NC

InChI

InChI=1S/C15H21N5O2S3/c1-12-3-5-13(6-4-12)25(21,22)19-9-7-18(8-10-19)11-20-15(23)24-14(16-2)17-20/h3-6H,7-11H2,1-2H3,(H,16,17)/p+1