4-[[5-[(3-fluorophenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[[5-[(3-fluorophenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methyl-3-nitro-benzenesulfonamide Openeye Name: 4-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methyl-3-nitro-benzenesulfonamide CAS Name: 4-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]thio]-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]thio]-N-methyl-3-nitro-benzenesulfonamide Formula: C15H12FN5O4S3 MolecularWeight: 441.480283

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC(=C(C=C1)SC2=NN=C(S2)NC3=CC(=CC=C3)F)[N+](=O)[O-]

Isomeric SMILES

CNS(=O)(=O)C1=CC(=C(C=C1)SC2=NN=C(S2)NC3=CC(=CC=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C15H12FN5O4S3/c1-17-28(24,25)11-5-6-13(12(8-11)21(22)23)26-15-20-19-14(27-15)18-10-4-2-3-9(16)7-10/h2-8,17H,1H3,(H,18,19)