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

Systemtic Name: 3-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-(2-methylprop-2-enylsulfanyl)-1,3,4-thiadiazole-2-thione Openeye Name: 3-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-(2-methylallylsulfanyl)-1,3,4-thiadiazole-2-thione CAS Name: 3-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-5-(2-methylprop-2-enylthio)-1,3,4-thiadiazole-2-thione IUPAC Name: 3-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-(2-methylprop-2-enylsulfanyl)-1,3,4-thiadiazole-2-thione Traditional Name: 3-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-(2-methylallylthio)-1,3,4-thiadiazole-2-thione Formula: C18H25N4OS3+ MolecularWeight: 409.6123

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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/C18H24N4OS3/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/h4-7H,1,8-13H2,2-3H3/p+1