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

Systemtic Name: butyl 2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]ethanoate Openeye Name: butyl 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetate CAS Name: 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]acetic acid butyl ester IUPAC Name: butyl 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetate Traditional Name: 2-[(5-cyano-4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]acetic acid butyl ester Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O3S/c1-2-3-9-23-14(21)11-24-17-19-15(12-7-5-4-6-8-12)13(10-18)16(22)20-17/h4-8H,2-3,9,11H2,1H3,(H,19,20,22)