1-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propan-2-one

Systemtic Name: 1-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propan-2-one Openeye Name: 1-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propan-2-one CAS Name: 1-(5H-[1,2,4]triazino[5,6-b]indol-3-ylthio)-2-propanone IUPAC Name: 1-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propan-2-one Traditional Name: 1-(5H-[1,2,4]triazin[5,6-b]indol-3-ylthio)acetone Formula: C12H10N4OS MolecularWeight: 258.299

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NC2=C(C3=CC=CC=C3N2)N=N1

Isomeric SMILES

CC(=O)CSC1=NC2=C(C3=CC=CC=C3N2)N=N1

InChI

InChI=1S/C12H10N4OS/c1-7(17)6-18-12-14-11-10(15-16-12)8-4-2-3-5-9(8)13-11/h2-5H,6H2,1H3,(H,13,14,16)