3-(3-bromophenyl)-N-(3-cyano-4-ethyl-5-methyl-thiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

Systemtic Name: 3-(3-bromophenyl)-N-(3-cyano-4-ethyl-5-methyl-thiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide Openeye Name: 3-(3-bromophenyl)-N-(3-cyano-4-ethyl-5-methyl-2-thienyl)-4,5-dihydroisoxazole-5-carboxamide CAS Name: 3-(3-bromophenyl)-N-(3-cyano-4-ethyl-5-methyl-2-thiophenyl)-4,5-dihydroisoxazole-5-carboxamide IUPAC Name: 3-(3-bromophenyl)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide Traditional Name: 3-(3-bromophenyl)-N-(3-cyano-4-ethyl-5-methyl-2-thienyl)-2-isoxazoline-5-carboxamide Formula: C18H16BrN3O2S MolecularWeight: 418.30754

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C#N)NC(=O)C2CC(=NO2)C3=CC(=CC=C3)Br)C

Isomeric SMILES

CCC1=C(SC(=C1C#N)NC(=O)C2CC(=NO2)C3=CC(=CC=C3)Br)C

InChI

InChI=1S/C18H16BrN3O2S/c1-3-13-10(2)25-18(14(13)9-20)21-17(23)16-8-15(22-24-16)11-5-4-6-12(19)7-11/h4-7,16H,3,8H2,1-2H3,(H,21,23)