N,N-diethyl-4-[[4-ethyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[[4-ethyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-[[4-ethyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[[4-ethyl-5-(2-methyl-3-furanyl)-1,2,4-triazol-3-yl]thio]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[[4-ethyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[[4-ethyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]-3-nitro-benzenesulfonamide Formula: C19H23N5O5S2 MolecularWeight: 465.54642

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)[N+](=O)[O-])C3=C(OC=C3)C

Isomeric SMILES

CCN1C(=NN=C1SC2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)[N+](=O)[O-])C3=C(OC=C3)C

InChI

InChI=1S/C19H23N5O5S2/c1-5-22(6-2)31(27,28)14-8-9-17(16(12-14)24(25)26)30-19-21-20-18(23(19)7-3)15-10-11-29-13(15)4/h8-12H,5-7H2,1-4H3