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

Systemtic Name: 2-bromanyl-4-(3-butylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-6-ethoxy-phenol Openeye Name: 2-bromo-4-(3-butylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-6-ethoxy-phenol CAS Name: 2-bromo-4-[3-(butylthio)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-6-ethoxyphenol IUPAC Name: 2-bromo-4-(3-butylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-6-ethoxyphenol Traditional Name: 2-bromo-4-[3-(butylthio)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-6-ethoxy-phenol Formula: C22H23BrN4O3S MolecularWeight: 503.41202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23BrN4O3S/c1-3-5-10-31-22-25-21-18(26-27-22)14-8-6-7-9-16(14)24-20(30-21)13-11-15(23)19(28)17(12-13)29-4-2/h6-9,11-12,20,24,28H,3-5,10H2,1-2H3