N-[[4-ethyl-5-[2-(4-methoxy-3-nitro-phenyl)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide

Systemtic Name: N-[[4-ethyl-5-[2-(4-methoxy-3-nitro-phenyl)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide Openeye Name: N-[[4-ethyl-5-[2-(4-methoxy-3-nitro-phenyl)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide CAS Name: N-[[4-ethyl-5-[[2-(4-methoxy-3-nitrophenyl)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide IUPAC Name: N-[[4-ethyl-5-[2-(4-methoxy-3-nitrophenyl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide Traditional Name: N-[[4-ethyl-5-[[2-keto-2-(4-methoxy-3-nitro-phenyl)ethyl]thio]-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide Formula: C22H23N5O5S MolecularWeight: 469.51352

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])CNC(=O)C3=CC(=CC=C3)C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])CNC(=O)C3=CC(=CC=C3)C

InChI

InChI=1S/C22H23N5O5S/c1-4-26-20(12-23-21(29)16-7-5-6-14(2)10-16)24-25-22(26)33-13-18(28)15-8-9-19(32-3)17(11-15)27(30)31/h5-11H,4,12-13H2,1-3H3,(H,23,29)