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

Systemtic Name: 10-bromanyl-3-propylsulfanyl-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Openeye Name: 10-bromo-3-propylsulfanyl-[1,2,4]triazino[5,6-d][3,1]benzoxazepine CAS Name: 10-bromo-3-(propylthio)-[1,2,4]triazino[5,6-d][3,1]benzoxazepine IUPAC Name: 10-bromo-3-propylsulfanyl-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Traditional Name: 10-bromo-3-(propylthio)-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Formula: C13H11BrN4OS MolecularWeight: 351.22164

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=C(C3=C(C=CC(=C3)Br)N=CO2)N=N1

Isomeric SMILES

CCCSC1=NC2=C(C3=C(C=CC(=C3)Br)N=CO2)N=N1

InChI

InChI=1S/C13H11BrN4OS/c1-2-5-20-13-16-12-11(17-18-13)9-6-8(14)3-4-10(9)15-7-19-12/h3-4,6-7H,2,5H2,1H3