4-bromanyl-5-[[5-(2-ethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]furan-2-carbaldehyde

Systemtic Name: 4-bromanyl-5-[[5-(2-ethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]furan-2-carbaldehyde Openeye Name: 4-bromo-5-[[5-(2-ethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]furan-2-carbaldehyde CAS Name: 4-bromo-5-[[5-(2-ethoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-2-furancarboxaldehyde IUPAC Name: 4-bromo-5-[[5-(2-ethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]furan-2-carbaldehyde Traditional Name: 4-bromo-5-[(5-o-phenetyl-1H-1,2,4-triazol-3-yl)thio]furfural Formula: C15H12BrN3O3S MolecularWeight: 394.24308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2=NC(=NN2)SC3=C(C=C(O3)C=O)Br

Isomeric SMILES

CCOC1=CC=CC=C1C2=NC(=NN2)SC3=C(C=C(O3)C=O)Br

InChI

InChI=1S/C15H12BrN3O3S/c1-2-21-12-6-4-3-5-10(12)13-17-15(19-18-13)23-14-11(16)7-9(8-20)22-14/h3-8H,2H2,1H3,(H,17,18,19)