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

Systemtic Name: 4-bromanyl-3-(3-butylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenol Openeye Name: 4-bromo-3-(3-butylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenol CAS Name: 4-bromo-3-[3-(butylthio)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol IUPAC Name: 4-bromo-3-(3-butylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenol Traditional Name: 4-bromo-3-[3-(butylthio)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol Formula: C20H19BrN4O2S MolecularWeight: 459.35946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=C(C=CC(=C4)O)Br)N=N1

Isomeric SMILES

CCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=C(C=CC(=C4)O)Br)N=N1

InChI

InChI=1S/C20H19BrN4O2S/c1-2-3-10-28-20-23-19-17(24-25-20)13-6-4-5-7-16(13)22-18(27-19)14-11-12(26)8-9-15(14)21/h4-9,11,18,22,26H,2-3,10H2,1H3