3-fluoranyl-4-methoxy-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide

Systemtic Name: 3-fluoranyl-4-methoxy-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3-fluoro-4-methoxy-benzenesulfonamide CAS Name: 3-fluoro-4-methoxy-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]benzenesulfonamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3-fluoro-4-methoxybenzenesulfonamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-3-fluoro-4-methoxy-benzenesulfonamide Formula: C16H14FN3O3S3 MolecularWeight: 411.494063

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NC2=NN=C(S2)SCC3=CC=CC=C3)F

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NC2=NN=C(S2)SCC3=CC=CC=C3)F

InChI

InChI=1S/C16H14FN3O3S3/c1-23-14-8-7-12(9-13(14)17)26(21,22)20-15-18-19-16(25-15)24-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,18,20)