1-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-phenylsulfanyl-ethanone

Systemtic Name: 1-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-phenylsulfanyl-ethanone Openeye Name: 1-[(3R)-3-(2-furyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-phenylsulfanyl-ethanone CAS Name: 1-[(3R)-3-(2-furanyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-(phenylthio)ethanone IUPAC Name: 1-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-phenylsulfanylethanone Traditional Name: 1-[(5R)-5-(2-furyl)-3-(4-methoxyphenyl)-2-pyrazolin-1-yl]-2-(phenylthio)ethanone Formula: C22H20N2O3S MolecularWeight: 392.4708

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CO3)C(=O)CSC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN([C@H](C2)C3=CC=CO3)C(=O)CSC4=CC=CC=C4

InChI

InChI=1S/C22H20N2O3S/c1-26-17-11-9-16(10-12-17)19-14-20(21-8-5-13-27-21)24(23-19)22(25)15-28-18-6-3-2-4-7-18/h2-13,20H,14-15H2,1H3/t20-/m1/s1