2-[8-(4-chlorophenyl)octylsulfanyl]-1-methylsulfonyl-5-(pyridin-3-ylmethyl)pyrimidin-4-one

Systemtic Name: 2-[8-(4-chlorophenyl)octylsulfanyl]-1-methylsulfonyl-5-(pyridin-3-ylmethyl)pyrimidin-4-one Openeye Name: 2-[8-(4-chlorophenyl)octylsulfanyl]-1-methylsulfonyl-5-(3-pyridylmethyl)pyrimidin-4-one CAS Name: 2-[8-(4-chlorophenyl)octylthio]-1-methylsulfonyl-5-(3-pyridinylmethyl)-4-pyrimidinone IUPAC Name: 2-[8-(4-chlorophenyl)octylsulfanyl]-1-methylsulfonyl-5-(pyridin-3-ylmethyl)pyrimidin-4-one Traditional Name: 2-[8-(4-chlorophenyl)octylthio]-1-mesyl-5-(3-pyridylmethyl)pyrimidin-4-one Formula: C25H30ClN3O3S2 MolecularWeight: 520.107

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1C=C(C(=O)N=C1SCCCCCCCCC2=CC=C(C=C2)Cl)CC3=CN=CC=C3

Isomeric SMILES

CS(=O)(=O)N1C=C(C(=O)N=C1SCCCCCCCCC2=CC=C(C=C2)Cl)CC3=CN=CC=C3

InChI

InChI=1S/C25H30ClN3O3S2/c1-34(31,32)29-19-22(17-21-10-8-15-27-18-21)24(30)28-25(29)33-16-7-5-3-2-4-6-9-20-11-13-23(26)14-12-20/h8,10-15,18-19H,2-7,9,16-17H2,1H3