2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-6-phenyl-pyrimidin-4-olate

Systemtic Name: 2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-6-phenyl-pyrimidin-4-olate Openeye Name: 2-(2-anilino-2-oxo-ethyl)sulfanyl-6-phenyl-pyrimidin-4-olate CAS Name: 2-[(2-anilino-2-oxoethyl)thio]-6-phenyl-4-pyrimidinolate IUPAC Name: 2-(2-anilino-2-oxoethyl)sulfanyl-6-phenylpyrimidin-4-olate Traditional Name: 2-[(2-anilino-2-keto-ethyl)thio]-6-phenyl-pyrimidin-4-olate Formula: C18H14N3O2S- MolecularWeight: 336.38766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)NC3=CC=CC=C3)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)NC3=CC=CC=C3)[O-]

InChI

InChI=1S/C18H15N3O2S/c22-16-11-15(13-7-3-1-4-8-13)20-18(21-16)24-12-17(23)19-14-9-5-2-6-10-14/h1-11H,12H2,(H,19,23)(H,20,21,22)/p-1