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

Systemtic Name: 5-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-2-methyl-furan-3-carboxylate Openeye Name: 5-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-2-methyl-furan-3-carboxylate CAS Name: 5-[[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]thio]methyl]-2-methyl-3-furancarboxylate IUPAC Name: 5-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-2-methylfuran-3-carboxylate Traditional Name: 5-[[[5-[(4-fluorobenzyl)amino]-1,3,4-thiadiazol-2-yl]thio]methyl]-2-methyl-3-furoate Formula: C16H13FN3O3S2- MolecularWeight: 378.421123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CSC2=NN=C(S2)NCC3=CC=C(C=C3)F)C(=O)[O-]

Isomeric SMILES

CC1=C(C=C(O1)CSC2=NN=C(S2)NCC3=CC=C(C=C3)F)C(=O)[O-]

InChI

InChI=1S/C16H14FN3O3S2/c1-9-13(14(21)22)6-12(23-9)8-24-16-20-19-15(25-16)18-7-10-2-4-11(17)5-3-10/h2-6H,7-8H2,1H3,(H,18,19)(H,21,22)/p-1