4,6-dimethyl-2-[2-[(3S)-5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carboxamide

Systemtic Name: 4,6-dimethyl-2-[2-[(3S)-5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carboxamide Openeye Name: 4,6-dimethyl-2-[2-[(3S)-5-(2-naphthyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]sulfanyl-pyridine-3-carboxamide CAS Name: 4,6-dimethyl-2-[[2-[(3S)-5-(2-naphthalenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thio]-3-pyridinecarboxamide IUPAC Name: 4,6-dimethyl-2-[2-[(3S)-5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanylpyridine-3-carboxamide Traditional Name: 2-[[2-keto-2-[(5S)-3-(2-naphthyl)-5-phenyl-2-pyrazolin-1-yl]ethyl]thio]-4,6-dimethyl-nicotinamide Formula: C29H26N4O2S MolecularWeight: 494.60734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C(=O)N)SCC(=O)N2C(CC(=N2)C3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=NC(=C1C(=O)N)SCC(=O)N2[C@@H](CC(=N2)C3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5)C

InChI

InChI=1S/C29H26N4O2S/c1-18-14-19(2)31-29(27(18)28(30)35)36-17-26(34)33-25(21-9-4-3-5-10-21)16-24(32-33)23-13-12-20-8-6-7-11-22(20)15-23/h3-15,25H,16-17H2,1-2H3,(H2,30,35)/t25-/m0/s1