5-(4-bromophenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2-oxazole-3-carboxamide

Systemtic Name: 5-(4-bromophenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2-oxazole-3-carboxamide Openeye Name: 5-(4-bromophenyl)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)isoxazole-3-carboxamide CAS Name: 5-(4-bromophenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-isoxazolecarboxamide IUPAC Name: 5-(4-bromophenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2-oxazole-3-carboxamide Traditional Name: 5-(4-bromophenyl)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)isoxazole-3-carboxamide Formula: C19H14BrN3O2S MolecularWeight: 428.30236

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=NOC(=C3)C4=CC=C(C=C4)Br)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=NOC(=C3)C4=CC=C(C=C4)Br)C#N

InChI

InChI=1S/C19H14BrN3O2S/c20-12-7-5-11(6-8-12)16-9-15(23-25-16)18(24)22-19-14(10-21)13-3-1-2-4-17(13)26-19/h5-9H,1-4H2,(H,22,24)