N-[2-(3-bromanyl-4-methoxy-phenyl)carbonyl-1-benzofuran-3-yl]-1,2,3-thiadiazole-4-carboxamide

Systemtic Name: N-[2-(3-bromanyl-4-methoxy-phenyl)carbonyl-1-benzofuran-3-yl]-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-[2-(3-bromo-4-methoxy-benzoyl)benzofuran-3-yl]thiadiazole-4-carboxamide CAS Name: N-[2-[(3-bromo-4-methoxyphenyl)-oxomethyl]-3-benzofuranyl]-4-thiadiazolecarboxamide IUPAC Name: N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]thiadiazole-4-carboxamide Traditional Name: N-[2-(3-bromo-4-methoxy-benzoyl)benzofuran-3-yl]thiadiazole-4-carboxamide Formula: C19H12BrN3O4S MolecularWeight: 458.28528

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C2=C(C3=CC=CC=C3O2)NC(=O)C4=CSN=N4)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)C2=C(C3=CC=CC=C3O2)NC(=O)C4=CSN=N4)Br

InChI

InChI=1S/C19H12BrN3O4S/c1-26-15-7-6-10(8-12(15)20)17(24)18-16(11-4-2-3-5-14(11)27-18)21-19(25)13-9-28-23-22-13/h2-9H,1H3,(H,21,25)