5-azanyl-1-[[3,5-bis(chloranyl)-4-(4-fluorophenyl)carbonyl-phenyl]methyl]-1,2,3-triazole-4-carboxamide

Systemtic Name: 5-azanyl-1-[[3,5-bis(chloranyl)-4-(4-fluorophenyl)carbonyl-phenyl]methyl]-1,2,3-triazole-4-carboxamide Openeye Name: 5-amino-1-[[3,5-dichloro-4-(4-fluorobenzoyl)phenyl]methyl]triazole-4-carboxamide CAS Name: 5-amino-1-[[3,5-dichloro-4-[(4-fluorophenyl)-oxomethyl]phenyl]methyl]-4-triazolecarboxamide IUPAC Name: 5-amino-1-[[3,5-dichloro-4-(4-fluorobenzoyl)phenyl]methyl]triazole-4-carboxamide Traditional Name: 5-amino-1-[3,5-dichloro-4-(4-fluorobenzoyl)benzyl]triazole-4-carboxamide Formula: C17H12Cl2FN5O2 MolecularWeight: 408.213883

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C2=C(C=C(C=C2Cl)CN3C(=C(N=N3)C(=O)N)N)Cl)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)C2=C(C=C(C=C2Cl)CN3C(=C(N=N3)C(=O)N)N)Cl)F

InChI

InChI=1S/C17H12Cl2FN5O2/c18-11-5-8(7-25-16(21)14(17(22)27)23-24-25)6-12(19)13(11)15(26)9-1-3-10(20)4-2-9/h1-6H,7,21H2,(H2,22,27)