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

Systemtic Name: 4-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methyl-3-nitro-benzenesulfonamide Openeye Name: 4-[[5-(2-furylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methyl-3-nitro-benzenesulfonamide CAS Name: 4-[[5-(2-furanylmethylamino)-1,3,4-thiadiazol-2-yl]thio]-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-[[5-(2-furfurylamino)-1,3,4-thiadiazol-2-yl]thio]-N-methyl-3-nitro-benzenesulfonamide Formula: C14H13N5O5S3 MolecularWeight: 427.47852

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC(=C(C=C1)SC2=NN=C(S2)NCC3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

CNS(=O)(=O)C1=CC(=C(C=C1)SC2=NN=C(S2)NCC3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C14H13N5O5S3/c1-15-27(22,23)10-4-5-12(11(7-10)19(20)21)25-14-18-17-13(26-14)16-8-9-3-2-6-24-9/h2-7,15H,8H2,1H3,(H,16,17)