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

Systemtic Name: 5-methyl-3-[[4-(3-methylphenyl)piperazin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione Openeye Name: 5-methyl-3-[[4-(m-tolyl)piperazin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione CAS Name: 5-methyl-3-[[4-(3-methylphenyl)-1-piperazin-1-iumyl]methyl]-1,3,4-thiadiazole-2-thione IUPAC Name: 5-methyl-3-[[4-(3-methylphenyl)piperazin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione Traditional Name: 5-methyl-3-[[4-(m-tolyl)piperazin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione Formula: C15H21N4S2+ MolecularWeight: 321.48404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N4S2/c1-12-4-3-5-14(10-12)18-8-6-17(7-9-18)11-19-15(20)21-13(2)16-19/h3-5,10H,6-9,11H2,1-2H3/p+1