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

Systemtic Name: 3-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-1,3,4-thiadiazole-2-thione Openeye Name: 3-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-1,3,4-thiadiazole-2-thione CAS Name: 3-[[4-(2,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-5-methyl-1,3,4-thiadiazole-2-thione IUPAC Name: 3-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-1,3,4-thiadiazole-2-thione Traditional Name: 3-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-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)S(=O)(=O)N2CC[NH+](CC2)CN3C(=S)SC(=N3)C)C

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O2S3/c1-12-4-5-15(13(2)10-12)25(21,22)19-8-6-18(7-9-19)11-20-16(23)24-14(3)17-20/h4-5,10H,6-9,11H2,1-3H3/p+1