3-methoxy-4-[2-[[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzaldehyde

Systemtic Name: 3-methoxy-4-[2-[[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzaldehyde Openeye Name: 3-methoxy-4-[2-[[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzaldehyde CAS Name: 3-methoxy-4-[2-[[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]thio]ethoxy]benzaldehyde IUPAC Name: 3-methoxy-4-[2-[[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzaldehyde Traditional Name: 3-methoxy-4-[2-[[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]thio]ethoxy]benzaldehyde Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=O)OCCSC2=NNC(=N2)COC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)C=O)OCCSC2=NNC(=N2)COC3=CC=CC=C3

InChI

InChI=1S/C19H19N3O4S/c1-24-17-11-14(12-23)7-8-16(17)25-9-10-27-19-20-18(21-22-19)13-26-15-5-3-2-4-6-15/h2-8,11-12H,9-10,13H2,1H3,(H,20,21,22)