4-[[(E)-(4-azanyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-ylidene)methyl]amino]benzenesulfonamide

Systemtic Name: 4-[[(E)-(4-azanyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-ylidene)methyl]amino]benzenesulfonamide Openeye Name: 4-[[(E)-(4-amino-6-oxo-2-thioxo-pyrimidin-5-ylidene)methyl]amino]benzenesulfonamide CAS Name: 4-[[(E)-(4-amino-6-oxo-2-sulfanylidene-5-pyrimidinylidene)methyl]amino]benzenesulfonamide IUPAC Name: 4-[[(E)-(4-amino-6-oxo-2-sulfanylidenepyrimidin-5-ylidene)methyl]amino]benzenesulfonamide Traditional Name: 4-[[(E)-(4-amino-6-keto-2-thioxo-pyrimidin-5-ylidene)methyl]amino]benzenesulfonamide Formula: C11H11N5O3S2 MolecularWeight: 325.36674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC=C2C(=NC(=S)NC2=O)N)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1N/C=C/2\C(=NC(=S)NC2=O)N)S(=O)(=O)N

InChI

InChI=1S/C11H11N5O3S2/c12-9-8(10(17)16-11(20)15-9)5-14-6-1-3-7(4-2-6)21(13,18)19/h1-5,14H,(H2,13,18,19)(H3,12,15,16,17,20)/b8-5+