5-methyl-2-(2-naphthalen-1-yl-2-sulfanyl-ethyl)-1H-pyrazol-3-one

Systemtic Name: 5-methyl-2-(2-naphthalen-1-yl-2-sulfanyl-ethyl)-1H-pyrazol-3-one Openeye Name: 5-methyl-2-[2-(1-naphthyl)-2-sulfanyl-ethyl]-1H-pyrazol-3-one CAS Name: 2-[2-mercapto-2-(1-naphthalenyl)ethyl]-5-methyl-1H-pyrazol-3-one IUPAC Name: 5-methyl-2-(2-naphthalen-1-yl-2-sulfanylethyl)-1H-pyrazol-3-one Traditional Name: 2-[2-mercapto-2-(1-naphthyl)ethyl]-5-methyl-3-pyrazolin-3-one Formula: C16H16N2OS MolecularWeight: 284.37604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(N1)CC(C2=CC=CC3=CC=CC=C32)S

Isomeric SMILES

CC1=CC(=O)N(N1)CC(C2=CC=CC3=CC=CC=C32)S

InChI

InChI=1S/C16H16N2OS/c1-11-9-16(19)18(17-11)10-15(20)14-8-4-6-12-5-2-3-7-13(12)14/h2-9,15,17,20H,10H2,1H3