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

Systemtic Name: N-(2-ethoxyphenyl)-2-[[5-(4-methylphenyl)sulfonyl-6-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanamide Openeye Name: N-(2-ethoxyphenyl)-2-[[6-oxo-5-(p-tolylsulfonyl)-1H-pyrimidin-2-yl]sulfanyl]acetamide CAS Name: N-(2-ethoxyphenyl)-2-[[5-(4-methylphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]thio]acetamide IUPAC Name: N-(2-ethoxyphenyl)-2-[[5-(4-methylphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide Traditional Name: 2-[(6-keto-5-tosyl-1H-pyrimidin-2-yl)thio]-N-o-phenetyl-acetamide Formula: C21H21N3O5S2 MolecularWeight: 459.53854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)CSC2=NC=C(C(=O)N2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)CSC2=NC=C(C(=O)N2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H21N3O5S2/c1-3-29-17-7-5-4-6-16(17)23-19(25)13-30-21-22-12-18(20(26)24-21)31(27,28)15-10-8-14(2)9-11-15/h4-12H,3,13H2,1-2H3,(H,23,25)(H,22,24,26)