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

Systemtic Name: 10-bromanyl-6-methyl-3-pentylsulfanyl-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Openeye Name: 10-bromo-6-methyl-3-pentylsulfanyl-[1,2,4]triazino[5,6-d][3,1]benzoxazepine CAS Name: 10-bromo-6-methyl-3-(pentylthio)-[1,2,4]triazino[5,6-d][3,1]benzoxazepine IUPAC Name: 10-bromo-6-methyl-3-pentylsulfanyl-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Traditional Name: 3-(amylthio)-10-bromo-6-methyl-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Formula: C16H17BrN4OS MolecularWeight: 393.30138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC2=C(C3=C(C=CC(=C3)Br)N=C(O2)C)N=N1

Isomeric SMILES

CCCCCSC1=NC2=C(C3=C(C=CC(=C3)Br)N=C(O2)C)N=N1

InChI

InChI=1S/C16H17BrN4OS/c1-3-4-5-8-23-16-19-15-14(20-21-16)12-9-11(17)6-7-13(12)18-10(2)22-15/h6-7,9H,3-5,8H2,1-2H3