3-[phenyl-(phenylmethylsulfanyl)methyl]pentane-2,4-dione

Systemtic Name: 3-[phenyl-(phenylmethylsulfanyl)methyl]pentane-2,4-dione Openeye Name: 3-[benzylsulfanyl(phenyl)methyl]pentane-2,4-dione CAS Name: 3-[phenyl-(phenylmethylthio)methyl]pentane-2,4-dione IUPAC Name: 3-[benzylsulfanyl(phenyl)methyl]pentane-2,4-dione Traditional Name: 3-[(benzylthio)-phenyl-methyl]pentane-2,4-dione Formula: C19H20O2S MolecularWeight: 312.4259

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(C1=CC=CC=C1)SCC2=CC=CC=C2)C(=O)C

Isomeric SMILES

CC(=O)C(C(C1=CC=CC=C1)SCC2=CC=CC=C2)C(=O)C

InChI

InChI=1S/C19H20O2S/c1-14(20)18(15(2)21)19(17-11-7-4-8-12-17)22-13-16-9-5-3-6-10-16/h3-12,18-19H,13H2,1-2H3