2-[4-methyl-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidin-1-yl]-N-(4-methylphenyl)sulfonyl-ethanamide

Systemtic Name: 2-[4-methyl-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidin-1-yl]-N-(4-methylphenyl)sulfonyl-ethanamide Openeye Name: 2-(2-benzylsulfanyl-4-methyl-6-oxo-pyrimidin-1-yl)-N-(p-tolylsulfonyl)acetamide CAS Name: 2-[4-methyl-6-oxo-2-(phenylmethylthio)-1-pyrimidinyl]-N-(4-methylphenyl)sulfonylacetamide IUPAC Name: 2-(2-benzylsulfanyl-4-methyl-6-oxopyrimidin-1-yl)-N-(4-methylphenyl)sulfonylacetamide Traditional Name: 2-[2-(benzylthio)-6-keto-4-methyl-pyrimidin-1-yl]-N-tosyl-acetamide Formula: C21H21N3O4S2 MolecularWeight: 443.53914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)CN2C(=O)C=C(N=C2SCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)CN2C(=O)C=C(N=C2SCC3=CC=CC=C3)C

InChI

InChI=1S/C21H21N3O4S2/c1-15-8-10-18(11-9-15)30(27,28)23-19(25)13-24-20(26)12-16(2)22-21(24)29-14-17-6-4-3-5-7-17/h3-12H,13-14H2,1-2H3,(H,23,25)