(3R,4S,5R)-2-azanylidene-4-(4-bromanyl-3-fluoranyl-phenyl)-5-(phenylcarbonyl)thiolane-3-carbonitrile

Systemtic Name: (3R,4S,5R)-2-azanylidene-4-(4-bromanyl-3-fluoranyl-phenyl)-5-(phenylcarbonyl)thiolane-3-carbonitrile Openeye Name: (3R,4S,5R)-5-benzoyl-4-(4-bromo-3-fluoro-phenyl)-2-imino-tetrahydrothiophene-3-carbonitrile CAS Name: (3R,4S,5R)-5-benzoyl-4-(4-bromo-3-fluorophenyl)-2-imino-3-thiolanecarbonitrile IUPAC Name: (3R,4S,5R)-5-benzoyl-4-(4-bromo-3-fluorophenyl)-2-iminothiolane-3-carbonitrile Traditional Name: (3R,4S,5R)-5-benzoyl-4-(4-bromo-3-fluoro-phenyl)-2-imino-tetrahydrothiophene-3-carbonitrile Formula: C18H12BrFN2OS MolecularWeight: 403.268083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2C(C(C(=N)S2)C#N)C3=CC(=C(C=C3)Br)F

Isomeric SMILES

C1=CC=C(C=C1)C(=O)[C@H]2[C@@H]([C@@H](C(=N)S2)C#N)C3=CC(=C(C=C3)Br)F

InChI

InChI=1S/C18H12BrFN2OS/c19-13-7-6-11(8-14(13)20)15-12(9-21)18(22)24-17(15)16(23)10-4-2-1-3-5-10/h1-8,12,15,17,22H/t12-,15+,17+/m0/s1