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

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 2-(1,3-benzoxazol-2-ylthio)-1-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-1-[5-(4-methoxyphenyl)-3-phenyl-2-pyrazolin-1-yl]ethanone Formula: C25H21N3O3S MolecularWeight: 443.51754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21N3O3S/c1-30-19-13-11-18(12-14-19)22-15-21(17-7-3-2-4-8-17)27-28(22)24(29)16-32-25-26-20-9-5-6-10-23(20)31-25/h2-14,22H,15-16H2,1H3