3-[(4-chlorophenyl)methyl]-4-(2,5-dimethylpyrrol-1-yl)-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[(4-chlorophenyl)methyl]-4-(2,5-dimethylpyrrol-1-yl)-1H-1,2,4-triazol-5-one Openeye Name: 3-[(4-chlorophenyl)methyl]-4-(2,5-dimethylpyrrol-1-yl)-1H-1,2,4-triazol-5-one CAS Name: 3-[(4-chlorophenyl)methyl]-4-(2,5-dimethyl-1-pyrrolyl)-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(4-chlorophenyl)methyl]-4-(2,5-dimethylpyrrol-1-yl)-1H-1,2,4-triazol-5-one Traditional Name: 3-(4-chlorobenzyl)-4-(2,5-dimethylpyrrol-1-yl)-1H-1,2,4-triazol-5-one Formula: C15H15ClN4O MolecularWeight: 302.7588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15ClN4O/c1-10-3-4-11(2)19(10)20-14(17-18-15(20)21)9-12-5-7-13(16)8-6-12/h3-8H,9H2,1-2H3,(H,18,21)