6-[1-[2,6-bis(chloranyl)phenyl]ethyl]-2-[(E)-3-(4-methoxyphenyl)prop-2-enyl]sulfanyl-5-methyl-1H-pyrimidin-4-one

Systemtic Name: 6-[1-[2,6-bis(chloranyl)phenyl]ethyl]-2-[(E)-3-(4-methoxyphenyl)prop-2-enyl]sulfanyl-5-methyl-1H-pyrimidin-4-one Openeye Name: 6-[1-(2,6-dichlorophenyl)ethyl]-2-[(E)-3-(4-methoxyphenyl)allyl]sulfanyl-5-methyl-1H-pyrimidin-4-one CAS Name: 6-[1-(2,6-dichlorophenyl)ethyl]-2-[[(E)-3-(4-methoxyphenyl)prop-2-enyl]thio]-5-methyl-1H-pyrimidin-4-one IUPAC Name: 6-[1-(2,6-dichlorophenyl)ethyl]-2-[(E)-3-(4-methoxyphenyl)prop-2-enyl]sulfanyl-5-methyl-1H-pyrimidin-4-one Traditional Name: 6-[1-(2,6-dichlorophenyl)ethyl]-2-[[(E)-3-(4-methoxyphenyl)allyl]thio]-5-methyl-1H-pyrimidin-4-one Formula: C23H22Cl2N2O2S MolecularWeight: 461.40398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)SCC=CC2=CC=C(C=C2)OC)C(C)C3=C(C=CC=C3Cl)Cl

Isomeric SMILES

CC1=C(NC(=NC1=O)SC/C=C/C2=CC=C(C=C2)OC)C(C)C3=C(C=CC=C3Cl)Cl

InChI

InChI=1S/C23H22Cl2N2O2S/c1-14(20-18(24)7-4-8-19(20)25)21-15(2)22(28)27-23(26-21)30-13-5-6-16-9-11-17(29-3)12-10-16/h4-12,14H,13H2,1-3H3,(H,26,27,28)/b6-5+