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

Systemtic Name: 10-bromanyl-3-butylsulfanyl-6-methyl-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Openeye Name: 10-bromo-3-butylsulfanyl-6-methyl-[1,2,4]triazino[5,6-d][3,1]benzoxazepine CAS Name: 10-bromo-3-(butylthio)-6-methyl-[1,2,4]triazino[5,6-d][3,1]benzoxazepine IUPAC Name: 10-bromo-3-butylsulfanyl-6-methyl-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Traditional Name: 10-bromo-3-(butylthio)-6-methyl-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Formula: C15H15BrN4OS MolecularWeight: 379.2748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C3=C(C=CC(=C3)Br)N=C(O2)C)N=N1

Isomeric SMILES

CCCCSC1=NC2=C(C3=C(C=CC(=C3)Br)N=C(O2)C)N=N1

InChI

InChI=1S/C15H15BrN4OS/c1-3-4-7-22-15-18-14-13(19-20-15)11-8-10(16)5-6-12(11)17-9(2)21-14/h5-6,8H,3-4,7H2,1-2H3