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

Systemtic Name: 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]-1,3,4-thiadiazole-2-thione CAS Name: 3-[[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1,3,4-thiadiazole-2-thione IUPAC Name: 3-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione Traditional Name: 3-[(4-p-cumenylsulfonylpiperazin-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O2S3/c1-13(2)14-3-5-15(6-4-14)25(21,22)19-9-7-18(8-10-19)12-20-16(23)24-11-17-20/h3-6,11,13H,7-10,12H2,1-2H3/p+1