N-(4-butylphenyl)-2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-butylphenyl)-2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]ethanamide Openeye Name: N-(4-butylphenyl)-2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide CAS Name: N-(4-butylphenyl)-2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]acetamide IUPAC Name: N-(4-butylphenyl)-2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide Traditional Name: N-(4-butylphenyl)-2-[(5-cyano-4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]acetamide Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C(=C(N2)C3=CC=CC=C3)C#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C(=C(N2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C23H22N4O2S/c1-2-3-7-16-10-12-18(13-11-16)25-20(28)15-30-23-26-21(17-8-5-4-6-9-17)19(14-24)22(29)27-23/h4-6,8-13H,2-3,7,15H2,1H3,(H,25,28)(H,26,27,29)