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

Systemtic Name: 5-(4-bromophenyl)-N-(3-cyano-4-ethyl-5-methyl-thiophen-2-yl)-1,2-oxazole-3-carboxamide Openeye Name: 5-(4-bromophenyl)-N-(3-cyano-4-ethyl-5-methyl-2-thienyl)isoxazole-3-carboxamide CAS Name: 5-(4-bromophenyl)-N-(3-cyano-4-ethyl-5-methyl-2-thiophenyl)-3-isoxazolecarboxamide IUPAC Name: 5-(4-bromophenyl)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-1,2-oxazole-3-carboxamide Traditional Name: 5-(4-bromophenyl)-N-(3-cyano-4-ethyl-5-methyl-2-thienyl)isoxazole-3-carboxamide Formula: C18H14BrN3O2S MolecularWeight: 416.29166

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C#N)NC(=O)C2=NOC(=C2)C3=CC=C(C=C3)Br)C

Isomeric SMILES

CCC1=C(SC(=C1C#N)NC(=O)C2=NOC(=C2)C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C18H14BrN3O2S/c1-3-13-10(2)25-18(14(13)9-20)21-17(23)15-8-16(24-22-15)11-4-6-12(19)7-5-11/h4-8H,3H2,1-2H3,(H,21,23)