S-(5-ethanoyl-[1,2,4]triazino[5,6-b]indol-3-yl) ethanethioate

Systemtic Name: S-(5-ethanoyl-[1,2,4]triazino[5,6-b]indol-3-yl) ethanethioate Openeye Name: S-(5-acetyl-[1,2,4]triazino[5,6-b]indol-3-yl) ethanethioate CAS Name: ethanethioic acid S-(5-acetyl-[1,2,4]triazino[5,6-b]indol-3-yl) ester IUPAC Name: S-(5-acetyl-[1,2,4]triazino[5,6-b]indol-3-yl) ethanethioate Traditional Name: ethanethioic acid S-(5-acetyl-[1,2,4]triazin[5,6-b]indol-3-yl) ester Formula: C13H10N4O2S MolecularWeight: 286.3091

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C2=CC=CC=C2C3=C1N=C(N=N3)SC(=O)C

Isomeric SMILES

CC(=O)N1C2=CC=CC=C2C3=C1N=C(N=N3)SC(=O)C

InChI

InChI=1S/C13H10N4O2S/c1-7(18)17-10-6-4-3-5-9(10)11-12(17)14-13(16-15-11)20-8(2)19/h3-6H,1-2H3