N-[(1R,4S)-2-cyano-3-thiabicyclo[2.2.2]oct-5-en-2-yl]-N-phenyl-benzamide

Systemtic Name: N-[(1R,4S)-2-cyano-3-thiabicyclo[2.2.2]oct-5-en-2-yl]-N-phenyl-benzamide Openeye Name: N-[(1R,4S)-2-cyano-3-thiabicyclo[2.2.2]oct-5-en-2-yl]-N-phenyl-benzamide CAS Name: N-[(1R,4S)-2-cyano-3-thiabicyclo[2.2.2]oct-5-en-2-yl]-N-phenylbenzamide IUPAC Name: N-[(1R,4S)-2-cyano-3-thiabicyclo[2.2.2]oct-5-en-2-yl]-N-phenylbenzamide Traditional Name: N-[(1R,4S)-2-cyano-3-thiabicyclo[2.2.2]oct-5-en-2-yl]-N-phenyl-benzamide Formula: C21H18N2OS MolecularWeight: 346.44542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2C=CC1C(S2)(C#N)N(C3=CC=CC=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1C[C@H]2C=C[C@@H]1C(S2)(C#N)N(C3=CC=CC=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H18N2OS/c22-15-21(17-11-13-19(25-21)14-12-17)23(18-9-5-2-6-10-18)20(24)16-7-3-1-4-8-16/h1-11,13,17,19H,12,14H2/t17-,19+,21?/m0/s1