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

Systemtic Name: 3-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione Openeye Name: 3-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione CAS Name: 3-[[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1,3,4-thiadiazole-2-thione IUPAC Name: 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]-1,3,4-thiadiazole-2-thione Formula: C16H23N4O2S3+ MolecularWeight: 399.57442

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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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O2S3/c1-12-8-13(2)15(14(3)9-12)25(21,22)19-6-4-18(5-7-19)11-20-16(23)24-10-17-20/h8-10H,4-7,11H2,1-3H3/p+1