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

Systemtic Name: N,N-diethyl-4-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]thio]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]thio]-3-nitro-benzenesulfonamide Formula: C15H21N5O5S3 MolecularWeight: 447.55274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N5O5S3/c1-4-19(5-2)28(23,24)11-6-7-13(12(10-11)20(21)22)26-15-18-17-14(27-15)16-8-9-25-3/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,17)