2-[8-(4-chlorophenyl)-8-oxidanylidene-octyl]sulfanyl-1-(phenylmethyl)pyrimidin-4-one

Systemtic Name: 2-[8-(4-chlorophenyl)-8-oxidanylidene-octyl]sulfanyl-1-(phenylmethyl)pyrimidin-4-one Openeye Name: 1-benzyl-2-[8-(4-chlorophenyl)-8-oxo-octyl]sulfanyl-pyrimidin-4-one CAS Name: 2-[[8-(4-chlorophenyl)-8-oxooctyl]thio]-1-(phenylmethyl)-4-pyrimidinone IUPAC Name: 1-benzyl-2-[8-(4-chlorophenyl)-8-oxooctyl]sulfanylpyrimidin-4-one Traditional Name: 1-benzyl-2-[[8-(4-chlorophenyl)-8-keto-octyl]thio]pyrimidin-4-one Formula: C25H27ClN2O2S MolecularWeight: 455.01208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=CC(=O)N=C2SCCCCCCCC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C=CC(=O)N=C2SCCCCCCCC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C25H27ClN2O2S/c26-22-14-12-21(13-15-22)23(29)11-7-2-1-3-8-18-31-25-27-24(30)16-17-28(25)19-20-9-5-4-6-10-20/h4-6,9-10,12-17H,1-3,7-8,11,18-19H2