4-(2,5-dimethylpyrrol-1-yl)-3-(phenylmethyl)-1H-1,2,4-triazol-5-one

Systemtic Name: 4-(2,5-dimethylpyrrol-1-yl)-3-(phenylmethyl)-1H-1,2,4-triazol-5-one Openeye Name: 3-benzyl-4-(2,5-dimethylpyrrol-1-yl)-1H-1,2,4-triazol-5-one CAS Name: 4-(2,5-dimethyl-1-pyrrolyl)-3-(phenylmethyl)-1H-1,2,4-triazol-5-one IUPAC Name: 3-benzyl-4-(2,5-dimethylpyrrol-1-yl)-1H-1,2,4-triazol-5-one Traditional Name: 3-benzyl-4-(2,5-dimethylpyrrol-1-yl)-1H-1,2,4-triazol-5-one Formula: C15H16N4O MolecularWeight: 268.31374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1N2C(=NNC2=O)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC=C(N1N2C(=NNC2=O)CC3=CC=CC=C3)C

InChI

InChI=1S/C15H16N4O/c1-11-8-9-12(2)18(11)19-14(16-17-15(19)20)10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,17,20)