2-[(4-chlorophenyl)methylsulfanyl]-5-ethyl-6-oxidanylidene-3-prop-2-enyl-pyrimidin-4-olate

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-5-ethyl-6-oxidanylidene-3-prop-2-enyl-pyrimidin-4-olate Openeye Name: 3-allyl-2-[(4-chlorophenyl)methylsulfanyl]-5-ethyl-6-oxo-pyrimidin-4-olate CAS Name: 2-[(4-chlorophenyl)methylthio]-5-ethyl-6-oxo-3-prop-2-enyl-4-pyrimidinolate IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-5-ethyl-6-oxo-3-prop-2-enylpyrimidin-4-olate Traditional Name: 3-allyl-2-[(4-chlorobenzyl)thio]-5-ethyl-6-keto-pyrimidin-4-olate Formula: C16H16ClN2O2S- MolecularWeight: 335.82844

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C(=NC1=O)SCC2=CC=C(C=C2)Cl)CC=C)[O-]

Isomeric SMILES

CCC1=C(N(C(=NC1=O)SCC2=CC=C(C=C2)Cl)CC=C)[O-]

InChI

InChI=1S/C16H17ClN2O2S/c1-3-9-19-15(21)13(4-2)14(20)18-16(19)22-10-11-5-7-12(17)8-6-11/h3,5-8,21H,1,4,9-10H2,2H3/p-1