5-methyl-3-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione

Systemtic Name: 5-methyl-3-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione Openeye Name: 5-methyl-3-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione CAS Name: 5-methyl-3-[[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1,3,4-thiadiazole-2-thione IUPAC Name: 5-methyl-3-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione Traditional Name: 3-[(4-mesitylsulfonylpiperazin-1-ium-1-yl)methyl]-5-methyl-1,3,4-thiadiazole-2-thione Formula: C17H25N4O2S3+ MolecularWeight: 413.601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O2S3/c1-12-9-13(2)16(14(3)10-12)26(22,23)20-7-5-19(6-8-20)11-21-17(24)25-15(4)18-21/h9-10H,5-8,11H2,1-4H3/p+1