4-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate

Systemtic Name: 4-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Openeye Name: 4-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]thio]methyl]benzoate IUPAC Name: 4-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-[(4-fluorobenzyl)amino]-1,3,4-thiadiazol-2-yl]thio]methyl]benzoate Formula: C17H13FN3O2S2- MolecularWeight: 374.432423

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=NN=C(S2)SCC3=CC=C(C=C3)C(=O)[O-])F

Isomeric SMILES

C1=CC(=CC=C1CNC2=NN=C(S2)SCC3=CC=C(C=C3)C(=O)[O-])F

InChI

InChI=1S/C17H14FN3O2S2/c18-14-7-3-11(4-8-14)9-19-16-20-21-17(25-16)24-10-12-1-5-13(6-2-12)15(22)23/h1-8H,9-10H2,(H,19,20)(H,22,23)/p-1