2-[8-(4-chlorophenyl)-8-oxidanylidene-octyl]sulfanyl-5-(1,3-thiazol-2-ylmethyl)-1H-pyrimidin-6-one

Systemtic Name: 2-[8-(4-chlorophenyl)-8-oxidanylidene-octyl]sulfanyl-5-(1,3-thiazol-2-ylmethyl)-1H-pyrimidin-6-one Openeye Name: 2-[8-(4-chlorophenyl)-8-oxo-octyl]sulfanyl-5-(thiazol-2-ylmethyl)-1H-pyrimidin-6-one CAS Name: 2-[[8-(4-chlorophenyl)-8-oxooctyl]thio]-5-(2-thiazolylmethyl)-1H-pyrimidin-6-one IUPAC Name: 2-[8-(4-chlorophenyl)-8-oxooctyl]sulfanyl-5-(1,3-thiazol-2-ylmethyl)-1H-pyrimidin-6-one Traditional Name: 2-[[8-(4-chlorophenyl)-8-keto-octyl]thio]-5-(thiazol-2-ylmethyl)-1H-pyrimidin-6-one Formula: C22H24ClN3O2S2 MolecularWeight: 462.02786

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CCCCCCCSC2=NC=C(C(=O)N2)CC3=NC=CS3)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)CCCCCCCSC2=NC=C(C(=O)N2)CC3=NC=CS3)Cl

InChI

InChI=1S/C22H24ClN3O2S2/c23-18-9-7-16(8-10-18)19(27)6-4-2-1-3-5-12-30-22-25-15-17(21(28)26-22)14-20-24-11-13-29-20/h7-11,13,15H,1-6,12,14H2,(H,25,26,28)