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

Systemtic Name: 3-methylsulfanyl-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Openeye Name: 3-methylsulfanyl-[1,2,4]triazino[5,6-d][3,1]benzoxazepine CAS Name: 3-(methylthio)-[1,2,4]triazino[5,6-d][3,1]benzoxazepine IUPAC Name: 3-methylsulfanyl-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Traditional Name: 3-(methylthio)-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Formula: C11H8N4OS MolecularWeight: 244.27242

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C3=CC=CC=C3N=CO2)N=N1

Isomeric SMILES

CSC1=NC2=C(C3=CC=CC=C3N=CO2)N=N1

InChI

InChI=1S/C11H8N4OS/c1-17-11-13-10-9(14-15-11)7-4-2-3-5-8(7)12-6-16-10/h2-6H,1H3