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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(N(N2)C(=O)CSC3=CC=CC=C3)C4=CC=CO4

Isomeric SMILES

COC1=CC=C(C=C1)C2=C[C@H](N(N2)C(=O)CSC3=CC=CC=C3)C4=CC=CO4

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/h2-14,20,23H,15H2,1H3/t20-/m0/s1