S-(3-ethanoyl-5-oxidanylidene-4,6-dihydropyrido[3,2-d][1,3,6]triazocin-2-yl) ethanethioate

Systemtic Name: S-(3-ethanoyl-5-oxidanylidene-4,6-dihydropyrido[3,2-d][1,3,6]triazocin-2-yl) ethanethioate Openeye Name: S-(3-acetyl-5-oxo-4,6-dihydropyrido[3,2-d][1,3,6]triazocin-2-yl) ethanethioate CAS Name: ethanethioic acid S-(3-acetyl-5-oxo-4,6-dihydropyrido[3,2-d][1,3,6]triazocin-2-yl) ester IUPAC Name: S-(3-acetyl-5-oxo-4,6-dihydropyrido[3,2-d][1,3,6]triazocin-2-yl) ethanethioate Traditional Name: ethanethioic acid S-(3-acetyl-5-keto-4,6-dihydropyrido[3,2-d][1,3,6]triazocin-2-yl) ester Formula: C12H12N4O3S MolecularWeight: 292.31368

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(=O)NC2=C(C=CC=N2)N=C1SC(=O)C

Isomeric SMILES

CC(=O)N1CC(=O)NC2=C(C=CC=N2)N=C1SC(=O)C

InChI

InChI=1S/C12H12N4O3S/c1-7(17)16-6-10(19)15-11-9(4-3-5-13-11)14-12(16)20-8(2)18/h3-5H,6H2,1-2H3,(H,13,15,19)