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

Systemtic Name: 10-bromanyl-3-methylsulfanyl-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Openeye Name: 10-bromo-3-methylsulfanyl-[1,2,4]triazino[5,6-d][3,1]benzoxazepine CAS Name: 10-bromo-3-(methylthio)-[1,2,4]triazino[5,6-d][3,1]benzoxazepine IUPAC Name: 10-bromo-3-methylsulfanyl-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Traditional Name: 10-bromo-3-(methylthio)-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Formula: C11H7BrN4OS MolecularWeight: 323.16848

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C3=C(C=CC(=C3)Br)N=CO2)N=N1

Isomeric SMILES

CSC1=NC2=C(C3=C(C=CC(=C3)Br)N=CO2)N=N1

InChI

InChI=1S/C11H7BrN4OS/c1-18-11-14-10-9(15-16-11)7-4-6(12)2-3-8(7)13-5-17-10/h2-5H,1H3