5-azanyl-1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-N-phenyl-1,2,3-triazole-4-carboxamide

Systemtic Name: 5-azanyl-1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-N-phenyl-1,2,3-triazole-4-carboxamide Openeye Name: 5-amino-1-[(2-chloro-4-fluoro-phenyl)methyl]-N-phenyl-triazole-4-carboxamide CAS Name: 5-amino-1-[(2-chloro-4-fluorophenyl)methyl]-N-phenyl-4-triazolecarboxamide IUPAC Name: 5-amino-1-[(2-chloro-4-fluorophenyl)methyl]-N-phenyltriazole-4-carboxamide Traditional Name: 5-amino-1-(2-chloro-4-fluoro-benzyl)-N-phenyl-triazole-4-carboxamide Formula: C16H13ClFN5O MolecularWeight: 345.758723

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C2=C(N(N=N2)CC3=C(C=C(C=C3)F)Cl)N

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C2=C(N(N=N2)CC3=C(C=C(C=C3)F)Cl)N

InChI

InChI=1S/C16H13ClFN5O/c17-13-8-11(18)7-6-10(13)9-23-15(19)14(21-22-23)16(24)20-12-4-2-1-3-5-12/h1-8H,9,19H2,(H,20,24)