2-bromanyl-4-[3-[(2-chlorophenyl)methylsulfanyl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol

Systemtic Name: 2-bromanyl-4-[3-[(2-chlorophenyl)methylsulfanyl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol Openeye Name: 2-bromo-4-[3-[(2-chlorophenyl)methylsulfanyl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol CAS Name: 2-bromo-4-[3-[(2-chlorophenyl)methylthio]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol IUPAC Name: 2-bromo-4-[3-[(2-chlorophenyl)methylsulfanyl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol Traditional Name: 2-bromo-4-[3-[(2-chlorobenzyl)thio]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol Formula: C23H16BrClN4O2S MolecularWeight: 527.82074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NC3=C(C4=CC=CC=C4NC(O3)C5=CC(=C(C=C5)O)Br)N=N2)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NC3=C(C4=CC=CC=C4NC(O3)C5=CC(=C(C=C5)O)Br)N=N2)Cl

InChI

InChI=1S/C23H16BrClN4O2S/c24-16-11-13(9-10-19(16)30)21-26-18-8-4-2-6-15(18)20-22(31-21)27-23(29-28-20)32-12-14-5-1-3-7-17(14)25/h1-11,21,26,30H,12H2