2-[8-(4-chlorophenyl)octylsulfanyl]-1-methyl-5-(phenylmethyl)pyrimidin-4-one

Systemtic Name: 2-[8-(4-chlorophenyl)octylsulfanyl]-1-methyl-5-(phenylmethyl)pyrimidin-4-one Openeye Name: 5-benzyl-2-[8-(4-chlorophenyl)octylsulfanyl]-1-methyl-pyrimidin-4-one CAS Name: 2-[8-(4-chlorophenyl)octylthio]-1-methyl-5-(phenylmethyl)-4-pyrimidinone IUPAC Name: 5-benzyl-2-[8-(4-chlorophenyl)octylsulfanyl]-1-methylpyrimidin-4-one Traditional Name: 5-benzyl-2-[8-(4-chlorophenyl)octylthio]-1-methyl-pyrimidin-4-one Formula: C26H31ClN2OS MolecularWeight: 455.05514

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)N=C1SCCCCCCCCC2=CC=C(C=C2)Cl)CC3=CC=CC=C3

Isomeric SMILES

CN1C=C(C(=O)N=C1SCCCCCCCCC2=CC=C(C=C2)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C26H31ClN2OS/c1-29-20-23(19-22-12-8-6-9-13-22)25(30)28-26(29)31-18-10-5-3-2-4-7-11-21-14-16-24(27)17-15-21/h6,8-9,12-17,20H,2-5,7,10-11,18-19H2,1H3