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

Systemtic Name: 4-[2-[[5-(1-benzofuran-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzaldehyde Openeye Name: 4-[2-[[5-(benzofuran-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzaldehyde CAS Name: 4-[2-[[5-(2-benzofuranyl)-1H-1,2,4-triazol-3-yl]thio]ethoxy]benzaldehyde IUPAC Name: 4-[2-[[5-(1-benzofuran-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzaldehyde Traditional Name: 4-[2-[[5-(benzofuran-2-yl)-1H-1,2,4-triazol-3-yl]thio]ethoxy]benzaldehyde Formula: C19H15N3O3S MolecularWeight: 365.4057

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(O2)C3=NC(=NN3)SCCOC4=CC=C(C=C4)C=O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(O2)C3=NC(=NN3)SCCOC4=CC=C(C=C4)C=O

InChI

InChI=1S/C19H15N3O3S/c23-12-13-5-7-15(8-6-13)24-9-10-26-19-20-18(21-22-19)17-11-14-3-1-2-4-16(14)25-17/h1-8,11-12H,9-10H2,(H,20,21,22)