2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-5-propyl-1H-pyrimidin-4-one

Systemtic Name: 2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-5-propyl-1H-pyrimidin-4-one Openeye Name: 2-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-6-methyl-5-propyl-1H-pyrimidin-4-one CAS Name: 2-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-6-methyl-5-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-6-methyl-5-propyl-1H-pyrimidin-4-one Traditional Name: 2-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-6-methyl-5-propyl-1H-pyrimidin-4-one Formula: C16H17ClN2O2S MolecularWeight: 336.83638

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(NC(=NC1=O)SCC(=O)C2=CC=C(C=C2)Cl)C

Isomeric SMILES

CCCC1=C(NC(=NC1=O)SCC(=O)C2=CC=C(C=C2)Cl)C

InChI

InChI=1S/C16H17ClN2O2S/c1-3-4-13-10(2)18-16(19-15(13)21)22-9-14(20)11-5-7-12(17)8-6-11/h5-8H,3-4,9H2,1-2H3,(H,18,19,21)