(2Z)-2-[7-(4-bromophenyl)-5-oxidanyl-1,3-benzoxathiol-2-ylidene]-2-cyano-ethanamide

Systemtic Name: (2Z)-2-[7-(4-bromophenyl)-5-oxidanyl-1,3-benzoxathiol-2-ylidene]-2-cyano-ethanamide Openeye Name: (2Z)-2-[7-(4-bromophenyl)-5-hydroxy-1,3-benzoxathiol-2-ylidene]-2-cyano-acetamide CAS Name: (2Z)-2-[7-(4-bromophenyl)-5-hydroxy-1,3-benzoxathiol-2-ylidene]-2-cyanoacetamide IUPAC Name: (2Z)-2-[7-(4-bromophenyl)-5-hydroxy-1,3-benzoxathiol-2-ylidene]-2-cyanoacetamide Traditional Name: (2Z)-2-[7-(4-bromophenyl)-5-hydroxy-1,3-benzoxathiol-2-ylidene]-2-cyano-acetamide Formula: C16H9BrN2O3S MolecularWeight: 389.22326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC(=CC3=C2OC(=C(C#N)C(=O)N)S3)O)Br

Isomeric SMILES

C1=CC(=CC=C1C2=CC(=CC3=C2O/C(=C(\C#N)/C(=O)N)/S3)O)Br

InChI

InChI=1S/C16H9BrN2O3S/c17-9-3-1-8(2-4-9)11-5-10(20)6-13-14(11)22-16(23-13)12(7-18)15(19)21/h1-6,20H,(H2,19,21)/b16-12-