[2-[(3S)-5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 3-phenylsulfanylpropanoate

Systemtic Name: [2-[(3S)-5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 3-phenylsulfanylpropanoate Openeye Name: [2-[(3S)-5-(2-naphthyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid [2-[(3S)-5-(2-naphthalenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] ester IUPAC Name: [2-[(3S)-5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid [2-keto-2-[(5S)-3-(2-naphthyl)-5-phenyl-2-pyrazolin-1-yl]ethyl] ester Formula: C30H26N2O3S MolecularWeight: 494.60404

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC3=CC=CC=C3C=C2)C(=O)COC(=O)CCSC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1[C@H](N(N=C1C2=CC3=CC=CC=C3C=C2)C(=O)COC(=O)CCSC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H26N2O3S/c33-29(21-35-30(34)17-18-36-26-13-5-2-6-14-26)32-28(23-10-3-1-4-11-23)20-27(31-32)25-16-15-22-9-7-8-12-24(22)19-25/h1-16,19,28H,17-18,20-21H2/t28-/m0/s1