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

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]-5-piperazin-4-ium-1-yl-1,3,4-thiadiazole Openeye Name: 2-[(4-fluorophenyl)methylsulfanyl]-5-piperazin-4-ium-1-yl-1,3,4-thiadiazole CAS Name: 2-[(4-fluorophenyl)methylthio]-5-(1-piperazin-4-iumyl)-1,3,4-thiadiazole IUPAC Name: 2-[(4-fluorophenyl)methylsulfanyl]-5-piperazin-4-ium-1-yl-1,3,4-thiadiazole Traditional Name: 2-[(4-fluorobenzyl)thio]-5-piperazin-4-ium-1-yl-1,3,4-thiadiazole Formula: C13H16FN4S2+ MolecularWeight: 311.421343

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=NN=C(S2)SCC3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CC[NH2+]1)C2=NN=C(S2)SCC3=CC=C(C=C3)F

InChI

InChI=1S/C13H15FN4S2/c14-11-3-1-10(2-4-11)9-19-13-17-16-12(20-13)18-7-5-15-6-8-18/h1-4,15H,5-9H2/p+1