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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=O)OCCSC2=NN=C(N2C)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=O)OCCSC2=NN=C(N2C)C3=CC=C(C=C3)C

InChI

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