1-(4-chlorophenyl)-3-ethanoyl-5-(1H-imidazol-5-ylmethyl)-2,5-dihydro-1,2,4-triazin-6-one

Systemtic Name: 1-(4-chlorophenyl)-3-ethanoyl-5-(1H-imidazol-5-ylmethyl)-2,5-dihydro-1,2,4-triazin-6-one Openeye Name: 3-acetyl-1-(4-chlorophenyl)-5-(1H-imidazol-5-ylmethyl)-2,5-dihydro-1,2,4-triazin-6-one CAS Name: 3-acetyl-1-(4-chlorophenyl)-5-(1H-imidazol-5-ylmethyl)-2,5-dihydro-1,2,4-triazin-6-one IUPAC Name: 3-acetyl-1-(4-chlorophenyl)-5-(1H-imidazol-5-ylmethyl)-2,5-dihydro-1,2,4-triazin-6-one Traditional Name: 3-acetyl-1-(4-chlorophenyl)-5-(1H-imidazol-5-ylmethyl)-2,5-dihydro-1,2,4-triazin-6-one Formula: C15H14ClN5O2 MolecularWeight: 331.75696

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=NC(C(=O)N(N1)C2=CC=C(C=C2)Cl)CC3=CN=CN3

Isomeric SMILES

CC(=O)C1=NC(C(=O)N(N1)C2=CC=C(C=C2)Cl)CC3=CN=CN3

InChI

InChI=1S/C15H14ClN5O2/c1-9(22)14-19-13(6-11-7-17-8-18-11)15(23)21(20-14)12-4-2-10(16)3-5-12/h2-5,7-8,13H,6H2,1H3,(H,17,18)(H,19,20)