N-(4-bromanyl-2-fluoranyl-phenyl)-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide CAS Name: N-(4-bromo-2-fluorophenyl)-4-[(2,3,5-trimethylphenoxy)methyl]-2-thiophenecarboxamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide Formula: C21H19BrFNO2S MolecularWeight: 448.348463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OCC2=CSC(=C2)C(=O)NC3=C(C=C(C=C3)Br)F)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OCC2=CSC(=C2)C(=O)NC3=C(C=C(C=C3)Br)F)C)C

InChI

InChI=1S/C21H19BrFNO2S/c1-12-6-13(2)14(3)19(7-12)26-10-15-8-20(27-11-15)21(25)24-18-5-4-16(22)9-17(18)23/h4-9,11H,10H2,1-3H3,(H,24,25)