3-bromanyl-5-(10-bromanyl-3-ethylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)benzene-1,2-diol

Systemtic Name: 3-bromanyl-5-(10-bromanyl-3-ethylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)benzene-1,2-diol Openeye Name: 3-bromo-5-(10-bromo-3-ethylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)benzene-1,2-diol CAS Name: 3-bromo-5-[10-bromo-3-(ethylthio)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzene-1,2-diol IUPAC Name: 3-bromo-5-(10-bromo-3-ethylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)benzene-1,2-diol Traditional Name: 3-bromo-5-[10-bromo-3-(ethylthio)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]pyrocatechol Formula: C18H14Br2N4O3S MolecularWeight: 526.20176

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C3=C(C=CC(=C3)Br)NC(O2)C4=CC(=C(C(=C4)Br)O)O)N=N1

Isomeric SMILES

CCSC1=NC2=C(C3=C(C=CC(=C3)Br)NC(O2)C4=CC(=C(C(=C4)Br)O)O)N=N1

InChI

InChI=1S/C18H14Br2N4O3S/c1-2-28-18-22-17-14(23-24-18)10-7-9(19)3-4-12(10)21-16(27-17)8-5-11(20)15(26)13(25)6-8/h3-7,16,21,25-26H,2H2,1H3