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6-[2-[(3-bromophenyl)methoxy]phenyl]-3-ethylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine

6-[2-[(3-bromophenyl)methoxy]phenyl]-3-ethylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine

Systemtic Name:6-[2-[(3-bromophenyl)methoxy]phenyl]-3-ethylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Openeye Name:6-[2-[(3-bromophenyl)methoxy]phenyl]-3-ethylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
CAS Name:6-[2-[(3-bromophenyl)methoxy]phenyl]-3-(ethylthio)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
IUPAC Name:6-[2-[(3-bromophenyl)methoxy]phenyl]-3-ethylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Traditional Name:6-[2-(3-bromobenzyl)oxyphenyl]-3-(ethylthio)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Formula: C25H21BrN4O2S
MolecularWeight: 521.42884
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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC=CC=C4OCC5=CC(=CC=C5)Br)N=N1


Isomeric SMILES

CCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC=CC=C4OCC5=CC(=CC=C5)Br)N=N1


InChI

InChI=1S/C25H21BrN4O2S/c1-2-33-25-28-24-22(29-30-25)18-10-3-5-12-20(18)27-23(32-24)19-11-4-6-13-21(19)31-15-16-8-7-9-17(26)14-16/h3-14,23,27H,2,15H2,1H3


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