(5Z)-5-(3-bromanylpropylidene)-7-methylsulfanyl-6H-[1]benzoxepino[2,3-b]pyridine

Systemtic Name: (5Z)-5-(3-bromanylpropylidene)-7-methylsulfanyl-6H-[1]benzoxepino[2,3-b]pyridine Openeye Name: (5Z)-5-(3-bromopropylidene)-7-methylsulfanyl-6H-[1]benzoxepino[2,3-b]pyridine CAS Name: (5Z)-5-(3-bromopropylidene)-7-(methylthio)-6H-[1]benzoxepino[2,3-b]pyridine IUPAC Name: (5Z)-5-(3-bromopropylidene)-7-methylsulfanyl-6H-[1]benzoxepino[2,3-b]pyridine Traditional Name: (5Z)-5-(3-bromopropylidene)-7-(methylthio)-6H-[1]benzoxepino[2,3-b]pyridine Formula: C17H16BrNOS MolecularWeight: 362.28404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC2=C1CC(=CCCBr)C3=C(O2)N=CC=C3

Isomeric SMILES

CSC1=CC=CC2=C1C/C(=C/CCBr)/C3=C(O2)N=CC=C3

InChI

InChI=1S/C17H16BrNOS/c1-21-16-8-2-7-15-14(16)11-12(5-3-9-18)13-6-4-10-19-17(13)20-15/h2,4-8,10H,3,9,11H2,1H3/b12-5-