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

Systemtic Name: 3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-5-methylsulfanyl-1,3,4-thiadiazole-2-thione Openeye Name: 3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-5-methylsulfanyl-1,3,4-thiadiazole-2-thione CAS Name: 3-[[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]methyl]-5-(methylthio)-1,3,4-thiadiazole-2-thione IUPAC Name: 3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-5-methylsulfanyl-1,3,4-thiadiazole-2-thione Traditional Name: 3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-5-(methylthio)-1,3,4-thiadiazole-2-thione Formula: C16H23N4S3+ MolecularWeight: 367.57562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4S3/c1-12-5-4-6-14(13(12)2)19-9-7-18(8-10-19)11-20-16(21)23-15(17-20)22-3/h4-6H,7-11H2,1-3H3/p+1