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

Systemtic Name: 10-bromanyl-3-butylsulfanyl-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Openeye Name: 10-bromo-3-butylsulfanyl-[1,2,4]triazino[5,6-d][3,1]benzoxazepine CAS Name: 10-bromo-3-(butylthio)-[1,2,4]triazino[5,6-d][3,1]benzoxazepine IUPAC Name: 10-bromo-3-butylsulfanyl-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Traditional Name: 10-bromo-3-(butylthio)-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Formula: C14H13BrN4OS MolecularWeight: 365.24822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C3=C(C=CC(=C3)Br)N=CO2)N=N1

Isomeric SMILES

CCCCSC1=NC2=C(C3=C(C=CC(=C3)Br)N=CO2)N=N1

InChI

InChI=1S/C14H13BrN4OS/c1-2-3-6-21-14-17-13-12(18-19-14)10-7-9(15)4-5-11(10)16-8-20-13/h4-5,7-8H,2-3,6H2,1H3