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

Systemtic Name: 3-ethoxy-4-[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzaldehyde Openeye Name: 3-ethoxy-4-[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzaldehyde CAS Name: 3-ethoxy-4-[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]ethoxy]benzaldehyde IUPAC Name: 3-ethoxy-4-[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzaldehyde Traditional Name: 3-ethoxy-4-[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]ethoxy]benzaldehyde Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S/c1-3-24-20(17-8-6-5-7-9-17)22-23-21(24)28-13-12-27-18-11-10-16(15-25)14-19(18)26-4-2/h5-11,14-15H,3-4,12-13H2,1-2H3