ethyl 2-[(5-cyano-6-phenyl-4-sulfanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoate

Systemtic Name: ethyl 2-[(5-cyano-6-phenyl-4-sulfanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoate Openeye Name: ethyl 2-[(5-cyano-6-phenyl-4-thioxo-1H-pyrimidin-2-yl)sulfanyl]acetate CAS Name: 2-[(5-cyano-6-phenyl-4-sulfanylidene-1H-pyrimidin-2-yl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(5-cyano-6-phenyl-4-sulfanylidene-1H-pyrimidin-2-yl)sulfanyl]acetate Traditional Name: 2-[(5-cyano-6-phenyl-4-thioxo-1H-pyrimidin-2-yl)thio]acetic acid ethyl ester Formula: C15H13N3O2S2 MolecularWeight: 331.41262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=S)C(=C(N1)C2=CC=CC=C2)C#N

Isomeric SMILES

CCOC(=O)CSC1=NC(=S)C(=C(N1)C2=CC=CC=C2)C#N

InChI

InChI=1S/C15H13N3O2S2/c1-2-20-12(19)9-22-15-17-13(10-6-4-3-5-7-10)11(8-16)14(21)18-15/h3-7H,2,9H2,1H3,(H,17,18,21)