3-phenyl-4-pyrrol-1-yl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-phenyl-4-pyrrol-1-yl-1H-1,2,4-triazol-5-one Openeye Name: 3-phenyl-4-pyrrol-1-yl-1H-1,2,4-triazol-5-one CAS Name: 3-phenyl-4-(1-pyrrolyl)-1H-1,2,4-triazol-5-one IUPAC Name: 3-phenyl-4-pyrrol-1-yl-1H-1,2,4-triazol-5-one Traditional Name: 3-phenyl-4-pyrrol-1-yl-1H-1,2,4-triazol-5-one Formula: C12H10N4O MolecularWeight: 226.234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NNC(=O)N2N3C=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C2=NNC(=O)N2N3C=CC=C3

InChI

InChI=1S/C12H10N4O/c17-12-14-13-11(10-6-2-1-3-7-10)16(12)15-8-4-5-9-15/h1-9H,(H,14,17)