2-[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl]sulfanylpyrimidin-4-olate

Systemtic Name: 2-[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl]sulfanylpyrimidin-4-olate Openeye Name: 2-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]sulfanylpyrimidin-4-olate CAS Name: 2-[[2-oxo-2-[2-(phenylthio)anilino]ethyl]thio]-4-pyrimidinolate IUPAC Name: 2-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-[2-(phenylthio)anilino]ethyl]thio]pyrimidin-4-olate Formula: C18H14N3O2S2- MolecularWeight: 368.45266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)CSC3=NC=CC(=N3)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)CSC3=NC=CC(=N3)[O-]

InChI

InChI=1S/C18H15N3O2S2/c22-16-10-11-19-18(21-16)24-12-17(23)20-14-8-4-5-9-15(14)25-13-6-2-1-3-7-13/h1-11H,12H2,(H,20,23)(H,19,21,22)/p-1