4-[[3-[1,3-bis(oxidanylidene)propan-2-ylidene]-2-sulfanylidene-4H-quinoxalin-1-yl]diazenyl]-N-pyrimidin-2-yl-benzenesulfonamide

Systemtic Name: 4-[[3-[1,3-bis(oxidanylidene)propan-2-ylidene]-2-sulfanylidene-4H-quinoxalin-1-yl]diazenyl]-N-pyrimidin-2-yl-benzenesulfonamide Openeye Name: 4-[[3-(1-formyl-2-oxo-ethylidene)-2-thioxo-4H-quinoxalin-1-yl]azo]-N-pyrimidin-2-yl-benzenesulfonamide CAS Name: 4-[[3-(1,3-dioxopropan-2-ylidene)-2-sulfanylidene-4H-quinoxalin-1-yl]azo]-N-(2-pyrimidinyl)benzenesulfonamide IUPAC Name: 4-[[3-(1,3-dioxopropan-2-ylidene)-2-sulfanylidene-4H-quinoxalin-1-yl]diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide Traditional Name: 4-[[3-(1-formyl-2-keto-ethylidene)-2-thioxo-4H-quinoxalin-1-yl]azo]-N-(2-pyrimidyl)benzenesulfonamide Formula: C21H15N7O4S2 MolecularWeight: 493.5183

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=C(C=O)C=O)C(=S)N2N=NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

Isomeric SMILES

C1=CC=C2C(=C1)NC(=C(C=O)C=O)C(=S)N2N=NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

InChI

InChI=1S/C21H15N7O4S2/c29-12-14(13-30)19-20(33)28(18-5-2-1-4-17(18)24-19)27-25-15-6-8-16(9-7-15)34(31,32)26-21-22-10-3-11-23-21/h1-13,24H,(H,22,23,26)