5-(chloromethyl)-1-[4-methyl-2-(phenylcarbonyl)phenyl]-1,2,4-triazole-3-carboxamide

Systemtic Name: 5-(chloromethyl)-1-[4-methyl-2-(phenylcarbonyl)phenyl]-1,2,4-triazole-3-carboxamide Openeye Name: 1-(2-benzoyl-4-methyl-phenyl)-5-(chloromethyl)-1,2,4-triazole-3-carboxamide CAS Name: 1-(2-benzoyl-4-methylphenyl)-5-(chloromethyl)-1,2,4-triazole-3-carboxamide IUPAC Name: 1-(2-benzoyl-4-methylphenyl)-5-(chloromethyl)-1,2,4-triazole-3-carboxamide Traditional Name: 1-(2-benzoyl-4-methyl-phenyl)-5-(chloromethyl)-1,2,4-triazole-3-carboxamide Formula: C18H15ClN4O2 MolecularWeight: 354.7903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=NC(=N2)C(=O)N)CCl)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=NC(=N2)C(=O)N)CCl)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H15ClN4O2/c1-11-7-8-14(23-15(10-19)21-18(22-23)17(20)25)13(9-11)16(24)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,20,25)