1-[10-bromanyl-6-(3,4-dimethoxyphenyl)-3-ethylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone

Systemtic Name: 1-[10-bromanyl-6-(3,4-dimethoxyphenyl)-3-ethylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone Openeye Name: 1-[10-bromo-6-(3,4-dimethoxyphenyl)-3-ethylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone CAS Name: 1-[10-bromo-6-(3,4-dimethoxyphenyl)-3-(ethylthio)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone IUPAC Name: 1-[10-bromo-6-(3,4-dimethoxyphenyl)-3-ethylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone Traditional Name: 1-[10-bromo-6-(3,4-dimethoxyphenyl)-3-(ethylthio)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone Formula: C22H21BrN4O4S MolecularWeight: 517.39554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21BrN4O4S/c1-5-32-22-24-20-19(25-26-22)15-11-14(23)7-8-16(15)27(12(2)28)21(31-20)13-6-9-17(29-3)18(10-13)30-4/h6-11,21H,5H2,1-4H3