2-[2-[3-bromanyl-4-[(phenylmethyl)amino]phenyl]quinolin-3-yl]sulfanylethanal

Systemtic Name: 2-[2-[3-bromanyl-4-[(phenylmethyl)amino]phenyl]quinolin-3-yl]sulfanylethanal Openeye Name: 2-[[2-[4-(benzylamino)-3-bromo-phenyl]-3-quinolyl]sulfanyl]acetaldehyde CAS Name: 2-[[2-[3-bromo-4-[(phenylmethyl)amino]phenyl]-3-quinolinyl]thio]acetaldehyde IUPAC Name: 2-[2-[4-(benzylamino)-3-bromophenyl]quinolin-3-yl]sulfanylacetaldehyde Traditional Name: 2-[[2-[4-(benzylamino)-3-bromo-phenyl]-3-quinolyl]thio]acetaldehyde Formula: C24H19BrN2OS MolecularWeight: 463.38946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C=C(C=C2)C3=NC4=CC=CC=C4C=C3SCC=O)Br

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C=C(C=C2)C3=NC4=CC=CC=C4C=C3SCC=O)Br

InChI

InChI=1S/C24H19BrN2OS/c25-20-14-19(10-11-22(20)26-16-17-6-2-1-3-7-17)24-23(29-13-12-28)15-18-8-4-5-9-21(18)27-24/h1-12,14-15,26H,13,16H2