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

Systemtic Name: 3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-methylsulfanyl-1,3,4-thiadiazole-2-thione Openeye Name: 3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-methylsulfanyl-1,3,4-thiadiazole-2-thione CAS Name: 3-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]-5-(methylthio)-1,3,4-thiadiazole-2-thione IUPAC Name: 3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-methylsulfanyl-1,3,4-thiadiazole-2-thione Traditional Name: 3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-(methylthio)-1,3,4-thiadiazole-2-thione Formula: C14H18FN4S3+ MolecularWeight: 357.512923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17FN4S3/c1-21-13-16-19(14(20)22-13)10-17-6-8-18(9-7-17)12-4-2-11(15)3-5-12/h2-5H,6-10H2,1H3/p+1