2-[8-(4-chlorophenyl)octylsulfanyl]-1-(pyridin-4-ylmethyl)pyrimidin-4-one

Systemtic Name: 2-[8-(4-chlorophenyl)octylsulfanyl]-1-(pyridin-4-ylmethyl)pyrimidin-4-one Openeye Name: 2-[8-(4-chlorophenyl)octylsulfanyl]-1-(4-pyridylmethyl)pyrimidin-4-one CAS Name: 2-[8-(4-chlorophenyl)octylthio]-1-(pyridin-4-ylmethyl)-4-pyrimidinone IUPAC Name: 2-[8-(4-chlorophenyl)octylsulfanyl]-1-(pyridin-4-ylmethyl)pyrimidin-4-one Traditional Name: 2-[8-(4-chlorophenyl)octylthio]-1-(4-pyridylmethyl)pyrimidin-4-one Formula: C24H28ClN3OS MolecularWeight: 442.01662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCCCCCCSC2=NC(=O)C=CN2CC3=CC=NC=C3)Cl

Isomeric SMILES

C1=CC(=CC=C1CCCCCCCCSC2=NC(=O)C=CN2CC3=CC=NC=C3)Cl

InChI

InChI=1S/C24H28ClN3OS/c25-22-10-8-20(9-11-22)7-5-3-1-2-4-6-18-30-24-27-23(29)14-17-28(24)19-21-12-15-26-16-13-21/h8-17H,1-7,18-19H2