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

Systemtic Name: 2-[2-(4-ethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[2-(4-ethylphenyl)-2-oxo-ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[[2-(4-ethylphenyl)-2-oxoethyl]thio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[2-(4-ethylphenyl)-2-oxoethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[[2-(4-ethylphenyl)-2-keto-ethyl]thio]-6-propyl-1H-pyrimidin-4-one Formula: C17H20N2O2S MolecularWeight: 316.4179

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC(=O)C2=CC=C(C=C2)CC

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC(=O)C2=CC=C(C=C2)CC

InChI

InChI=1S/C17H20N2O2S/c1-3-5-14-10-16(21)19-17(18-14)22-11-15(20)13-8-6-12(4-2)7-9-13/h6-10H,3-5,11H2,1-2H3,(H,18,19,21)