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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O2S3/c1-13(2)15-4-6-16(7-5-15)26(22,23)20-10-8-19(9-11-20)12-21-17(24)25-14(3)18-21/h4-7,13H,8-12H2,1-3H3/p+1