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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC2=C(C3=C(C=CC(=C3)Br)N=CO2)N=N1

Isomeric SMILES

CCCCCSC1=NC2=C(C3=C(C=CC(=C3)Br)N=CO2)N=N1

InChI

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