2-[[4-ethyl-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-4-nitro-phenyl)ethanamide

Systemtic Name: 2-[[4-ethyl-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-4-nitro-phenyl)ethanamide Openeye Name: 2-[[4-ethyl-5-(3-isopropoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-4-nitro-phenyl)acetamide CAS Name: 2-[[4-ethyl-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(2-methoxy-4-nitrophenyl)acetamide IUPAC Name: 2-[[4-ethyl-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-4-nitrophenyl)acetamide Traditional Name: 2-[[4-ethyl-5-(3-isopropoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(2-methoxy-4-nitro-phenyl)acetamide Formula: C22H25N5O5S MolecularWeight: 471.5294

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC)C3=CC(=CC=C3)OC(C)C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC)C3=CC(=CC=C3)OC(C)C

InChI

InChI=1S/C22H25N5O5S/c1-5-26-21(15-7-6-8-17(11-15)32-14(2)3)24-25-22(26)33-13-20(28)23-18-10-9-16(27(29)30)12-19(18)31-4/h6-12,14H,5,13H2,1-4H3,(H,23,28)