2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]-1-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]ethanone

Systemtic Name: 2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]-1-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]ethanone Openeye Name: 2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]-1-[3-(4-methoxyphenyl)-5-(2-naphthyl)-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)thio]-1-[3-(4-methoxyphenyl)-5-(2-naphthalenyl)-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]-1-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 2-[(5-esyl-1,3-benzoxazol-2-yl)thio]-1-[5-(4-methoxyphenyl)-3-(2-naphthyl)-2-pyrazolin-1-yl]ethanone Formula: C31H27N3O5S2 MolecularWeight: 585.69318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC(=O)N3C(CC(=N3)C4=CC5=CC=CC=C5C=C4)C6=CC=C(C=C6)OC

Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC(=O)N3C(CC(=N3)C4=CC5=CC=CC=C5C=C4)C6=CC=C(C=C6)OC

InChI

InChI=1S/C31H27N3O5S2/c1-3-41(36,37)25-14-15-29-27(17-25)32-31(39-29)40-19-30(35)34-28(21-10-12-24(38-2)13-11-21)18-26(33-34)23-9-8-20-6-4-5-7-22(20)16-23/h4-17,28H,3,18-19H2,1-2H3