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

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]ethanone Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[3-(4-methoxyphenyl)-5-(2-naphthyl)-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 2-(1,3-benzoxazol-2-ylthio)-1-[3-(4-methoxyphenyl)-5-(2-naphthalenyl)-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-1-[5-(4-methoxyphenyl)-3-(2-naphthyl)-2-pyrazolin-1-yl]ethanone Formula: C29H23N3O3S MolecularWeight: 493.57622

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=NC4=CC=CC=C4O3)C5=CC6=CC=CC=C6C=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=NC4=CC=CC=C4O3)C5=CC6=CC=CC=C6C=C5

InChI

InChI=1S/C29H23N3O3S/c1-34-23-14-12-20(13-15-23)26-17-25(22-11-10-19-6-2-3-7-21(19)16-22)31-32(26)28(33)18-36-29-30-24-8-4-5-9-27(24)35-29/h2-16,26H,17-18H2,1H3