1-(4-bromophenyl)-5-methyl-N-(3-oxidanylidene-1H-2-benzofuran-5-yl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-(4-bromophenyl)-5-methyl-N-(3-oxidanylidene-1H-2-benzofuran-5-yl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-(4-bromophenyl)-5-methyl-N-(3-oxo-1H-isobenzofuran-5-yl)triazole-4-carboxamide CAS Name: 1-(4-bromophenyl)-5-methyl-N-(3-oxo-1H-isobenzofuran-5-yl)-4-triazolecarboxamide IUPAC Name: 1-(4-bromophenyl)-5-methyl-N-(3-oxo-1H-2-benzofuran-5-yl)triazole-4-carboxamide Traditional Name: 1-(4-bromophenyl)-N-(3-ketophthalan-5-yl)-5-methyl-triazole-4-carboxamide Formula: C18H13BrN4O3 MolecularWeight: 413.22482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=NN1C2=CC=C(C=C2)Br)C(=O)NC3=CC4=C(COC4=O)C=C3

Isomeric SMILES

CC1=C(N=NN1C2=CC=C(C=C2)Br)C(=O)NC3=CC4=C(COC4=O)C=C3

InChI

InChI=1S/C18H13BrN4O3/c1-10-16(21-22-23(10)14-6-3-12(19)4-7-14)17(24)20-13-5-2-11-9-26-18(25)15(11)8-13/h2-8H,9H2,1H3,(H,20,24)