3,4-bis(oxidanylidene)-2-pyrazol-1-yl-thiochromene-2-carbaldehyde

Systemtic Name: 3,4-bis(oxidanylidene)-2-pyrazol-1-yl-thiochromene-2-carbaldehyde Openeye Name: 3,4-dioxo-2-pyrazol-1-yl-thiochromane-2-carbaldehyde CAS Name: 3,4-dioxo-2-(1-pyrazolyl)-1-benzothiopyran-2-carboxaldehyde IUPAC Name: 3,4-dioxo-2-pyrazol-1-ylthiochromene-2-carbaldehyde Traditional Name: 3,4-diketo-2-pyrazol-1-yl-thiochroman-2-carbaldehyde Formula: C13H8N2O3S MolecularWeight: 272.27922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(=O)C(S2)(C=O)N3C=CC=N3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C(=O)C(S2)(C=O)N3C=CC=N3

InChI

InChI=1S/C13H8N2O3S/c16-8-13(15-7-3-6-14-15)12(18)11(17)9-4-1-2-5-10(9)19-13/h1-8H