2-[[5-(4-methylphenyl)sulfonyl-6-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-N-phenyl-propanamide

Systemtic Name: 2-[[5-(4-methylphenyl)sulfonyl-6-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-N-phenyl-propanamide Openeye Name: 2-[[6-oxo-5-(p-tolylsulfonyl)-1H-pyrimidin-2-yl]sulfanyl]-N-phenyl-propanamide CAS Name: 2-[[5-(4-methylphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]thio]-N-phenylpropanamide IUPAC Name: 2-[[5-(4-methylphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-phenylpropanamide Traditional Name: 2-[(6-keto-5-tosyl-1H-pyrimidin-2-yl)thio]-N-phenyl-propionamide Formula: C20H19N3O4S2 MolecularWeight: 429.51256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CN=C(NC2=O)SC(C)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CN=C(NC2=O)SC(C)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H19N3O4S2/c1-13-8-10-16(11-9-13)29(26,27)17-12-21-20(23-19(17)25)28-14(2)18(24)22-15-6-4-3-5-7-15/h3-12,14H,1-2H3,(H,22,24)(H,21,23,25)