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

Systemtic Name: 5-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]furan-2-carbaldehyde Openeye Name: 5-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]furan-2-carbaldehyde CAS Name: 5-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-2-furancarboxaldehyde IUPAC Name: 5-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]furan-2-carbaldehyde Traditional Name: 5-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]furfural Formula: C15H13N3O4S MolecularWeight: 331.34642

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C2=NC(=NN2)SC3=CC=C(O3)C=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C2=NC(=NN2)SC3=CC=C(O3)C=O)OC

InChI

InChI=1S/C15H13N3O4S/c1-20-11-5-9(6-12(7-11)21-2)14-16-15(18-17-14)23-13-4-3-10(8-19)22-13/h3-8H,1-2H3,(H,16,17,18)