[6-[(4-bromophenyl)amino]-5,8-bis(oxidanylidene)quinolin-7-yl] thiocyanate

Systemtic Name: [6-[(4-bromophenyl)amino]-5,8-bis(oxidanylidene)quinolin-7-yl] thiocyanate Openeye Name: [6-(4-bromoanilino)-5,8-dioxo-7-quinolyl] thiocyanate CAS Name: thiocyanic acid [6-(4-bromoanilino)-5,8-dioxo-7-quinolinyl] ester IUPAC Name: [6-(4-bromoanilino)-5,8-dioxoquinolin-7-yl] thiocyanate Traditional Name: thiocyanic acid [6-(4-bromoanilino)-5,8-diketo-7-quinolyl] ester Formula: C16H8BrN3O2S MolecularWeight: 386.22262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=O)C(=C(C2=O)NC3=CC=C(C=C3)Br)SC#N)N=C1

Isomeric SMILES

C1=CC2=C(C(=O)C(=C(C2=O)NC3=CC=C(C=C3)Br)SC#N)N=C1

InChI

InChI=1S/C16H8BrN3O2S/c17-9-3-5-10(6-4-9)20-13-14(21)11-2-1-7-19-12(11)15(22)16(13)23-8-18/h1-7,20H