2-[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl]sulfanyl-6-[(4-chlorophenyl)sulfanylmethyl]-1H-pyrimidin-4-one

Systemtic Name: 2-[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl]sulfanyl-6-[(4-chlorophenyl)sulfanylmethyl]-1H-pyrimidin-4-one Openeye Name: 2-[2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl]sulfanyl-6-[(4-chlorophenyl)sulfanylmethyl]-1H-pyrimidin-4-one CAS Name: 2-[[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl]thio]-6-[[(4-chlorophenyl)thio]methyl]-1H-pyrimidin-4-one IUPAC Name: 2-[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl]sulfanyl-6-[(4-chlorophenyl)sulfanylmethyl]-1H-pyrimidin-4-one Traditional Name: 2-[[2-(3-bromo-4-methoxy-phenyl)-2-keto-ethyl]thio]-6-[[(4-chlorophenyl)thio]methyl]-1H-pyrimidin-4-one Formula: C20H16BrClN2O3S2 MolecularWeight: 511.83964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=NC(=O)C=C(N2)CSC3=CC=C(C=C3)Cl)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=NC(=O)C=C(N2)CSC3=CC=C(C=C3)Cl)Br

InChI

InChI=1S/C20H16BrClN2O3S2/c1-27-18-7-2-12(8-16(18)21)17(25)11-29-20-23-14(9-19(26)24-20)10-28-15-5-3-13(22)4-6-15/h2-9H,10-11H2,1H3,(H,23,24,26)