N-(3-chlorophenyl)-2-(4-methyl-6-oxidanylidene-2-phenethylsulfanyl-pyrimidin-1-yl)ethanamide

Systemtic Name: N-(3-chlorophenyl)-2-(4-methyl-6-oxidanylidene-2-phenethylsulfanyl-pyrimidin-1-yl)ethanamide Openeye Name: N-(3-chlorophenyl)-2-(4-methyl-6-oxo-2-phenethylsulfanyl-pyrimidin-1-yl)acetamide CAS Name: N-(3-chlorophenyl)-2-[4-methyl-6-oxo-2-(phenethylthio)-1-pyrimidinyl]acetamide IUPAC Name: N-(3-chlorophenyl)-2-(4-methyl-6-oxo-2-phenethylsulfanylpyrimidin-1-yl)acetamide Traditional Name: N-(3-chlorophenyl)-2-[6-keto-4-methyl-2-(phenethylthio)pyrimidin-1-yl]acetamide Formula: C21H20ClN3O2S MolecularWeight: 413.9204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=N1)SCCC2=CC=CC=C2)CC(=O)NC3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=CC(=O)N(C(=N1)SCCC2=CC=CC=C2)CC(=O)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H20ClN3O2S/c1-15-12-20(27)25(14-19(26)24-18-9-5-8-17(22)13-18)21(23-15)28-11-10-16-6-3-2-4-7-16/h2-9,12-13H,10-11,14H2,1H3,(H,24,26)