5-cyano-2-(2-oxidanylidene-2-thiophen-2-yl-ethyl)sulfanyl-6-phenyl-pyrimidin-4-olate

Systemtic Name: 5-cyano-2-(2-oxidanylidene-2-thiophen-2-yl-ethyl)sulfanyl-6-phenyl-pyrimidin-4-olate Openeye Name: 5-cyano-2-[2-oxo-2-(2-thienyl)ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate CAS Name: 5-cyano-2-[(2-oxo-2-thiophen-2-ylethyl)thio]-6-phenyl-4-pyrimidinolate IUPAC Name: 5-cyano-2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-6-phenylpyrimidin-4-olate Traditional Name: 5-cyano-2-[[2-keto-2-(2-thienyl)ethyl]thio]-6-phenyl-pyrimidin-4-olate Formula: C17H10N3O2S2- MolecularWeight: 352.4102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=NC(=N2)SCC(=O)C3=CC=CS3)[O-])C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=NC(=N2)SCC(=O)C3=CC=CS3)[O-])C#N

InChI

InChI=1S/C17H11N3O2S2/c18-9-12-15(11-5-2-1-3-6-11)19-17(20-16(12)22)24-10-13(21)14-7-4-8-23-14/h1-8H,10H2,(H,19,20,22)/p-1