10-bromanyl-3-ethylsulfanyl-[1,2,4]triazino[5,6-d][3,1]benzoxazepine

Systemtic Name: 10-bromanyl-3-ethylsulfanyl-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Openeye Name: 10-bromo-3-ethylsulfanyl-[1,2,4]triazino[5,6-d][3,1]benzoxazepine CAS Name: 10-bromo-3-(ethylthio)-[1,2,4]triazino[5,6-d][3,1]benzoxazepine IUPAC Name: 10-bromo-3-ethylsulfanyl-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Traditional Name: 10-bromo-3-(ethylthio)-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Formula: C12H9BrN4OS MolecularWeight: 337.19506

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C3=C(C=CC(=C3)Br)N=CO2)N=N1

Isomeric SMILES

CCSC1=NC2=C(C3=C(C=CC(=C3)Br)N=CO2)N=N1

InChI

InChI=1S/C12H9BrN4OS/c1-2-19-12-15-11-10(16-17-12)8-5-7(13)3-4-9(8)14-6-18-11/h3-6H,2H2,1H3