3-phenyl-1H-1,2,4-triazole-5-carbaldehyde

Systemtic Name: 3-phenyl-1H-1,2,4-triazole-5-carbaldehyde Openeye Name: 3-phenyl-1H-1,2,4-triazole-5-carbaldehyde CAS Name: 3-phenyl-1H-1,2,4-triazole-5-carboxaldehyde IUPAC Name: 3-phenyl-1H-1,2,4-triazole-5-carbaldehyde Traditional Name: 3-phenyl-1H-1,2,4-triazole-5-carbaldehyde Formula: C9H7N3O MolecularWeight: 173.17138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NNC(=N2)C=O

Isomeric SMILES

C1=CC=C(C=C1)C2=NNC(=N2)C=O

InChI

InChI=1S/C9H7N3O/c13-6-8-10-9(12-11-8)7-4-2-1-3-5-7/h1-6H,(H,10,11,12)