N-[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide

Systemtic Name: N-[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide Openeye Name: N-[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]-3-methyl-benzofuran-2-carboxamide CAS Name: N-[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]-3-methyl-2-benzofurancarboxamide IUPAC Name: N-[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide Traditional Name: N-[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]-3-methyl-coumarilamide Formula: C18H13BrN4O2 MolecularWeight: 397.22542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)NC3=NNC(=N3)C4=CC(=CC=C4)Br

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)NC3=NNC(=N3)C4=CC(=CC=C4)Br

InChI

InChI=1S/C18H13BrN4O2/c1-10-13-7-2-3-8-14(13)25-15(10)17(24)21-18-20-16(22-23-18)11-5-4-6-12(19)9-11/h2-9H,1H3,(H2,20,21,22,23,24)