4-quinolin-8-ylsulfanylbut-2-ynyl 4-bromanylbenzoate

Systemtic Name: 4-quinolin-8-ylsulfanylbut-2-ynyl 4-bromanylbenzoate Openeye Name: 4-(8-quinolylsulfanyl)but-2-ynyl 4-bromobenzoate CAS Name: 4-bromobenzoic acid 4-(8-quinolinylthio)but-2-ynyl ester IUPAC Name: 4-quinolin-8-ylsulfanylbut-2-ynyl 4-bromobenzoate Traditional Name: 4-bromobenzoic acid 4-(8-quinolylthio)but-2-ynyl ester Formula: C20H14BrNO2S MolecularWeight: 412.29966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)SCC#CCOC(=O)C3=CC=C(C=C3)Br)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)SCC#CCOC(=O)C3=CC=C(C=C3)Br)N=CC=C2

InChI

InChI=1S/C20H14BrNO2S/c21-17-10-8-16(9-11-17)20(23)24-13-1-2-14-25-18-7-3-5-15-6-4-12-22-19(15)18/h3-12H,13-14H2