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

Systemtic Name: 3-[2-azanylethylsulfanyl(phenyl)methyl]pentane-2,4-dione Openeye Name: 3-[2-aminoethylsulfanyl(phenyl)methyl]pentane-2,4-dione CAS Name: 3-[(2-aminoethylthio)-phenylmethyl]pentane-2,4-dione IUPAC Name: 3-[2-aminoethylsulfanyl(phenyl)methyl]pentane-2,4-dione Traditional Name: 3-[(2-aminoethylthio)-phenyl-methyl]pentane-2,4-dione Formula: C14H19NO2S MolecularWeight: 265.37116

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(C1=CC=CC=C1)SCCN)C(=O)C

Isomeric SMILES

CC(=O)C(C(C1=CC=CC=C1)SCCN)C(=O)C

InChI

InChI=1S/C14H19NO2S/c1-10(16)13(11(2)17)14(18-9-8-15)12-6-4-3-5-7-12/h3-7,13-14H,8-9,15H2,1-2H3