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

Systemtic Name: 5-[(4-chlorophenyl)methyl]-4-(2,5-dimethylpyrrol-1-yl)-2-methyl-1,2,4-triazol-3-one Openeye Name: 5-[(4-chlorophenyl)methyl]-4-(2,5-dimethylpyrrol-1-yl)-2-methyl-1,2,4-triazol-3-one CAS Name: 5-[(4-chlorophenyl)methyl]-4-(2,5-dimethyl-1-pyrrolyl)-2-methyl-1,2,4-triazol-3-one IUPAC Name: 5-[(4-chlorophenyl)methyl]-4-(2,5-dimethylpyrrol-1-yl)-2-methyl-1,2,4-triazol-3-one Traditional Name: 5-(4-chlorobenzyl)-4-(2,5-dimethylpyrrol-1-yl)-2-methyl-1,2,4-triazol-3-one Formula: C16H17ClN4O MolecularWeight: 316.78538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1N2C(=NN(C2=O)C)CC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=CC=C(N1N2C(=NN(C2=O)C)CC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C16H17ClN4O/c1-11-4-5-12(2)20(11)21-15(18-19(3)16(21)22)10-13-6-8-14(17)9-7-13/h4-9H,10H2,1-3H3