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

Systemtic Name: N,N-diethyl-4-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-[[5-(2-furylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[[5-(2-furanylmethylamino)-1,3,4-thiadiazol-2-yl]thio]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[[5-(2-furfurylamino)-1,3,4-thiadiazol-2-yl]thio]-3-nitro-benzenesulfonamide Formula: C17H19N5O5S3 MolecularWeight: 469.55826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N5O5S3/c1-3-21(4-2)30(25,26)13-7-8-15(14(10-13)22(23)24)28-17-20-19-16(29-17)18-11-12-6-5-9-27-12/h5-10H,3-4,11H2,1-2H3,(H,18,19)