2-(2-naphthalen-1-yl-2-sulfanyl-ethyl)-4,5-diphenyl-1H-pyrazol-3-one

Systemtic Name: 2-(2-naphthalen-1-yl-2-sulfanyl-ethyl)-4,5-diphenyl-1H-pyrazol-3-one Openeye Name: 2-[2-(1-naphthyl)-2-sulfanyl-ethyl]-4,5-diphenyl-1H-pyrazol-3-one CAS Name: 2-[2-mercapto-2-(1-naphthalenyl)ethyl]-4,5-diphenyl-1H-pyrazol-3-one IUPAC Name: 2-(2-naphthalen-1-yl-2-sulfanylethyl)-4,5-diphenyl-1H-pyrazol-3-one Traditional Name: 2-[2-mercapto-2-(1-naphthyl)ethyl]-4,5-diphenyl-3-pyrazolin-3-one Formula: C27H22N2OS MolecularWeight: 422.54138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(NN(C2=O)CC(C3=CC=CC4=CC=CC=C43)S)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=C(NN(C2=O)CC(C3=CC=CC4=CC=CC=C43)S)C5=CC=CC=C5

InChI

InChI=1S/C27H22N2OS/c30-27-25(20-11-3-1-4-12-20)26(21-13-5-2-6-14-21)28-29(27)18-24(31)23-17-9-15-19-10-7-8-16-22(19)23/h1-17,24,28,31H,18H2