(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl) (1E)-N-oxidanyl-2-oxidanylidene-propanimidothioate

Systemtic Name: (5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl) (1E)-N-oxidanyl-2-oxidanylidene-propanimidothioate Openeye Name: (5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl) (1E)-N-hydroxy-2-oxo-propanimidothioate CAS Name: (1E)-N-hydroxy-2-oxopropanimidothioic acid (5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl) ester IUPAC Name: (5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl) (1E)-N-hydroxy-2-oxopropanimidothioate Traditional Name: (1E)-N-hydroxy-2-keto-thiopropionimidic acid (5-methyl-[1,2,4]triazin[5,6-b]indol-3-yl) ester Formula: C13H11N5O2S MolecularWeight: 301.32374

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=NO)SC1=NC2=C(C3=CC=CC=C3N2C)N=N1

Isomeric SMILES

CC(=O)/C(=N\O)/SC1=NC2=C(C3=CC=CC=C3N2C)N=N1

InChI

InChI=1S/C13H11N5O2S/c1-7(19)12(17-20)21-13-14-11-10(15-16-13)8-5-3-4-6-9(8)18(11)2/h3-6,20H,1-2H3/b17-12+