2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethoxy-3-nitro-phenyl)ethanone

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethoxy-3-nitro-phenyl)ethanone Openeye Name: 2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethoxy-3-nitro-phenyl)ethanone CAS Name: 2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-1-(4-ethoxy-3-nitrophenyl)ethanone IUPAC Name: 2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethoxy-3-nitrophenyl)ethanone Traditional Name: 2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-1-(4-ethoxy-3-nitro-phenyl)ethanone Formula: C24H28N4O4S MolecularWeight: 468.56852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O4S/c1-6-27-22(16-8-11-18(12-9-16)24(3,4)5)25-26-23(27)33-15-20(29)17-10-13-21(32-7-2)19(14-17)28(30)31/h8-14H,6-7,15H2,1-5H3