1-(4-bromanyl-2-pyridin-2-ylcarbonyl-phenyl)-5-(chloromethyl)-1,2,4-triazole-3-carboxamide

Systemtic Name: 1-(4-bromanyl-2-pyridin-2-ylcarbonyl-phenyl)-5-(chloromethyl)-1,2,4-triazole-3-carboxamide Openeye Name: 1-[4-bromo-2-(pyridine-2-carbonyl)phenyl]-5-(chloromethyl)-1,2,4-triazole-3-carboxamide CAS Name: 1-[4-bromo-2-[oxo(2-pyridinyl)methyl]phenyl]-5-(chloromethyl)-1,2,4-triazole-3-carboxamide IUPAC Name: 1-[4-bromo-2-(pyridine-2-carbonyl)phenyl]-5-(chloromethyl)-1,2,4-triazole-3-carboxamide Traditional Name: 1-(4-bromo-2-picolinoyl-phenyl)-5-(chloromethyl)-1,2,4-triazole-3-carboxamide Formula: C16H11BrClN5O2 MolecularWeight: 420.64784

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C(=O)C2=C(C=CC(=C2)Br)N3C(=NC(=N3)C(=O)N)CCl

Isomeric SMILES

C1=CC=NC(=C1)C(=O)C2=C(C=CC(=C2)Br)N3C(=NC(=N3)C(=O)N)CCl

InChI

InChI=1S/C16H11BrClN5O2/c17-9-4-5-12(23-13(8-18)21-16(22-23)15(19)25)10(7-9)14(24)11-3-1-2-6-20-11/h1-7H,8H2,(H2,19,25)