3-bromanyl-2-oxidanyl-3-(11-oxidanylidene-6H-benzo[c][1]benzothiepin-3-yl)propanenitrile

Systemtic Name: 3-bromanyl-2-oxidanyl-3-(11-oxidanylidene-6H-benzo[c][1]benzothiepin-3-yl)propanenitrile Openeye Name: 3-bromo-2-hydroxy-3-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)propanenitrile CAS Name: 3-bromo-2-hydroxy-3-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)propanenitrile IUPAC Name: 3-bromo-2-hydroxy-3-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)propanenitrile Traditional Name: 3-bromo-2-hydroxy-3-(11-keto-6H-benzo[c][1]benzothiepin-3-yl)propionitrile Formula: C17H12BrNO2S MolecularWeight: 374.25168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)C3=C(S1)C=C(C=C3)C(C(C#N)O)Br

Isomeric SMILES

C1C2=CC=CC=C2C(=O)C3=C(S1)C=C(C=C3)C(C(C#N)O)Br

InChI

InChI=1S/C17H12BrNO2S/c18-16(14(20)8-19)10-5-6-13-15(7-10)22-9-11-3-1-2-4-12(11)17(13)21/h1-7,14,16,20H,9H2