4-methoxy-3-[[5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazol-2-yl]-sulfanyl-methyl]benzaldehyde

Systemtic Name: 4-methoxy-3-[[5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazol-2-yl]-sulfanyl-methyl]benzaldehyde Openeye Name: 4-methoxy-3-[[5-(8-quinolyloxymethyl)-1,3,4-oxadiazol-2-yl]-sulfanyl-methyl]benzaldehyde CAS Name: 3-[mercapto-[5-(8-quinolinyloxymethyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methoxybenzaldehyde IUPAC Name: 4-methoxy-3-[[5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazol-2-yl]-sulfanylmethyl]benzaldehyde Traditional Name: 3-[mercapto-[5-(8-quinolyloxymethyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methoxy-benzaldehyde Formula: C21H17N3O4S MolecularWeight: 407.44238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=O)C(C2=NN=C(O2)COC3=CC=CC4=C3N=CC=C4)S

Isomeric SMILES

COC1=C(C=C(C=C1)C=O)C(C2=NN=C(O2)COC3=CC=CC4=C3N=CC=C4)S

InChI

InChI=1S/C21H17N3O4S/c1-26-16-8-7-13(11-25)10-15(16)20(29)21-24-23-18(28-21)12-27-17-6-2-4-14-5-3-9-22-19(14)17/h2-11,20,29H,12H2,1H3