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

Systemtic Name: 2-[8-(4-chlorophenyl)octylsulfanyl]-1-(phenylsulfonyl)-5-(pyridin-3-ylmethyl)pyrimidin-4-one Openeye Name: 1-(benzenesulfonyl)-2-[8-(4-chlorophenyl)octylsulfanyl]-5-(3-pyridylmethyl)pyrimidin-4-one CAS Name: 1-(benzenesulfonyl)-2-[8-(4-chlorophenyl)octylthio]-5-(3-pyridinylmethyl)-4-pyrimidinone IUPAC Name: 1-(benzenesulfonyl)-2-[8-(4-chlorophenyl)octylsulfanyl]-5-(pyridin-3-ylmethyl)pyrimidin-4-one Traditional Name: 1-besyl-2-[8-(4-chlorophenyl)octylthio]-5-(3-pyridylmethyl)pyrimidin-4-one Formula: C30H32ClN3O3S2 MolecularWeight: 582.17638

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)N2C=C(C(=O)N=C2SCCCCCCCCC3=CC=C(C=C3)Cl)CC4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)N2C=C(C(=O)N=C2SCCCCCCCCC3=CC=C(C=C3)Cl)CC4=CN=CC=C4

InChI

InChI=1S/C30H32ClN3O3S2/c31-27-17-15-24(16-18-27)11-6-3-1-2-4-9-20-38-30-33-29(35)26(21-25-12-10-19-32-22-25)23-34(30)39(36,37)28-13-7-5-8-14-28/h5,7-8,10,12-19,22-23H,1-4,6,9,11,20-21H2