5-[[(6-ethyl-1,3-benzothiazol-2-yl)amino]methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: 5-[[(6-ethyl-1,3-benzothiazol-2-yl)amino]methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: 5-[[(6-ethyl-1,3-benzothiazol-2-yl)amino]methylene]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: 5-[[(6-ethyl-1,3-benzothiazol-2-yl)amino]methylidene]-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: 5-[[(6-ethyl-1,3-benzothiazol-2-yl)amino]methylidene]-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: 5-[[(6-ethyl-1,3-benzothiazol-2-yl)amino]methylene]-6-keto-2-thioxo-pyrimidin-4-olate Formula: C14H11N4O2S2- MolecularWeight: 331.39274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)NC=C3C(=O)NC(=S)N=C3[O-]

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)NC=C3C(=O)NC(=S)N=C3[O-]

InChI

InChI=1S/C14H12N4O2S2/c1-2-7-3-4-9-10(5-7)22-14(16-9)15-6-8-11(19)17-13(21)18-12(8)20/h3-6H,2H2,1H3,(H,15,16)(H2,17,18,19,20,21)/p-1