4-[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]-1-methyl-2-methylsulfanyl-6-oxidanylidene-5H-pyrimidin-1-ium-5-carbonitrile

Systemtic Name: 4-[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]-1-methyl-2-methylsulfanyl-6-oxidanylidene-5H-pyrimidin-1-ium-5-carbonitrile Openeye Name: 4-[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]-1-methyl-2-methylsulfanyl-6-oxo-5H-pyrimidin-1-ium-5-carbonitrile CAS Name: 4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-1-methyl-2-(methylthio)-6-oxo-5H-pyrimidin-1-ium-5-carbonitrile IUPAC Name: 4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-1-methyl-2-methylsulfanyl-6-oxo-5H-pyrimidin-1-ium-5-carbonitrile Traditional Name: 4-[4-(4-chlorobenzyl)oxy-3-methoxy-phenyl]-6-keto-1-methyl-2-(methylthio)-5H-pyrimidin-1-ium-5-carbonitrile Formula: C21H19ClN3O3S+ MolecularWeight: 428.91186

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(N=C(C(C1=O)C#N)C2=CC(=C(C=C2)OCC3=CC=C(C=C3)Cl)OC)SC

Isomeric SMILES

C[N+]1=C(N=C(C(C1=O)C#N)C2=CC(=C(C=C2)OCC3=CC=C(C=C3)Cl)OC)SC

InChI

InChI=1S/C21H19ClN3O3S/c1-25-20(26)16(11-23)19(24-21(25)29-3)14-6-9-17(18(10-14)27-2)28-12-13-4-7-15(22)8-5-13/h4-10,16H,12H2,1-3H3/q+1