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

Systemtic Name: 3-[[4-(3-methylphenyl)piperazin-1-ium-1-yl]methyl]-5-(propan-2-ylamino)-1,3,4-thiadiazole-2-thione Openeye Name: 5-(isopropylamino)-3-[[4-(m-tolyl)piperazin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione CAS Name: 3-[[4-(3-methylphenyl)-1-piperazin-1-iumyl]methyl]-5-(propan-2-ylamino)-1,3,4-thiadiazole-2-thione IUPAC Name: 3-[[4-(3-methylphenyl)piperazin-1-ium-1-yl]methyl]-5-(propan-2-ylamino)-1,3,4-thiadiazole-2-thione Traditional Name: 5-(isopropylamino)-3-[[4-(m-tolyl)piperazin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione Formula: C17H26N5S2+ MolecularWeight: 364.55184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N5S2/c1-13(2)18-16-19-22(17(23)24-16)12-20-7-9-21(10-8-20)15-6-4-5-14(3)11-15/h4-6,11,13H,7-10,12H2,1-3H3,(H,18,19)/p+1