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

Systemtic Name: 3-ethoxy-4-[2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzaldehyde Openeye Name: 3-ethoxy-4-[2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzaldehyde CAS Name: 3-ethoxy-4-[2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)thio]ethoxy]benzaldehyde IUPAC Name: 3-ethoxy-4-[2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzaldehyde Traditional Name: 3-ethoxy-4-[2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)thio]ethoxy]benzaldehyde Formula: C18H25N3O3S MolecularWeight: 363.4744

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1CC)SCCOC2=C(C=C(C=C2)C=O)OCC

Isomeric SMILES

CCCC1=NN=C(N1CC)SCCOC2=C(C=C(C=C2)C=O)OCC

InChI

InChI=1S/C18H25N3O3S/c1-4-7-17-19-20-18(21(17)5-2)25-11-10-24-15-9-8-14(13-22)12-16(15)23-6-3/h8-9,12-13H,4-7,10-11H2,1-3H3