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

Systemtic Name: 3-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-(2-methylpropylsulfanyl)-1,3,4-thiadiazole-2-thione Openeye Name: 5-isobutylsulfanyl-3-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione CAS Name: 3-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-5-(2-methylpropylthio)-1,3,4-thiadiazole-2-thione IUPAC Name: 3-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-(2-methylpropylsulfanyl)-1,3,4-thiadiazole-2-thione Traditional Name: 5-(isobutylthio)-3-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione Formula: C18H27N4OS3+ MolecularWeight: 411.62818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NN(C(=S)S1)C[NH+]2CCN(CC2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)CSC1=NN(C(=S)S1)C[NH+]2CCN(CC2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C18H26N4OS3/c1-14(2)12-25-17-19-22(18(24)26-17)13-20-8-10-21(11-9-20)15-4-6-16(23-3)7-5-15/h4-7,14H,8-13H2,1-3H3/p+1