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

Systemtic Name: 2-methyl-5-phenyl-4-pyrrol-1-yl-1,2,4-triazol-3-one Openeye Name: 2-methyl-5-phenyl-4-pyrrol-1-yl-1,2,4-triazol-3-one CAS Name: 2-methyl-5-phenyl-4-(1-pyrrolyl)-1,2,4-triazol-3-one IUPAC Name: 2-methyl-5-phenyl-4-pyrrol-1-yl-1,2,4-triazol-3-one Traditional Name: 2-methyl-5-phenyl-4-pyrrol-1-yl-1,2,4-triazol-3-one Formula: C13H12N4O MolecularWeight: 240.26058

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)N(C(=N1)C2=CC=CC=C2)N3C=CC=C3

Isomeric SMILES

CN1C(=O)N(C(=N1)C2=CC=CC=C2)N3C=CC=C3

InChI

InChI=1S/C13H12N4O/c1-15-13(18)17(16-9-5-6-10-16)12(14-15)11-7-3-2-4-8-11/h2-10H,1H3