3-ethoxy-4-[2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzaldehyde

Systemtic Name: 3-ethoxy-4-[2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzaldehyde Openeye Name: 4-[2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]-3-ethoxy-benzaldehyde CAS Name: 3-ethoxy-4-[2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]ethoxy]benzaldehyde IUPAC Name: 4-[2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]-3-ethoxybenzaldehyde Traditional Name: 4-[2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)thio]ethoxy]-3-ethoxy-benzaldehyde Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCOC2=C(C=C(C=C2)C=O)OCC)CC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCCOC2=C(C=C(C=C2)C=O)OCC)CC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O3S/c1-3-25-21(15-17-8-6-5-7-9-17)23-24-22(25)29-13-12-28-19-11-10-18(16-26)14-20(19)27-4-2/h5-11,14,16H,3-4,12-13,15H2,1-2H3