3-[[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]methyl]-5-methylsulfanyl-1,3,4-thiadiazole-2-thione

Systemtic Name: 3-[[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]methyl]-5-methylsulfanyl-1,3,4-thiadiazole-2-thione Openeye Name: 3-[[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]methyl]-5-methylsulfanyl-1,3,4-thiadiazole-2-thione CAS Name: 3-[[(2S)-4-methyl-2-phenyl-1-piperazin-4-iumyl]methyl]-5-(methylthio)-1,3,4-thiadiazole-2-thione IUPAC Name: 3-[[(2S)-4-methyl-2-phenylpiperazin-4-ium-1-yl]methyl]-5-methylsulfanyl-1,3,4-thiadiazole-2-thione Traditional Name: 3-[[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]methyl]-5-(methylthio)-1,3,4-thiadiazole-2-thione Formula: C15H21N4S3+ MolecularWeight: 353.54904

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(C(C1)C2=CC=CC=C2)CN3C(=S)SC(=N3)SC

Isomeric SMILES

C[NH+]1CCN([C@H](C1)C2=CC=CC=C2)CN3C(=S)SC(=N3)SC

InChI

InChI=1S/C15H20N4S3/c1-17-8-9-18(11-19-15(20)22-14(16-19)21-2)13(10-17)12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3/p+1/t13-/m1/s1