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

Systemtic Name: 4-[2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzaldehyde Openeye Name: 4-[2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzaldehyde CAS Name: 4-[2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)thio]ethoxy]benzaldehyde IUPAC Name: 4-[2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzaldehyde Traditional Name: 4-[2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)thio]ethoxy]benzaldehyde Formula: C16H21N3O2S MolecularWeight: 319.42184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O2S/c1-3-5-15-17-18-16(19(15)4-2)22-11-10-21-14-8-6-13(12-20)7-9-14/h6-9,12H,3-5,10-11H2,1-2H3