2-(4-chlorophenyl)sulfanyl-1-[(3R)-3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-1-[(3R)-3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone Openeye Name: 2-(4-chlorophenyl)sulfanyl-1-[(3R)-3-(4-methoxyphenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 2-[(4-chlorophenyl)thio]-1-[(3R)-3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 2-(4-chlorophenyl)sulfanyl-1-[(3R)-3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 2-[(4-chlorophenyl)thio]-1-[(5R)-5-(4-methoxyphenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]ethanone Formula: C22H19ClN2O2S2 MolecularWeight: 442.98146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=CC=C(C=C3)Cl)C4=CC=CS4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CC(=NN2C(=O)CSC3=CC=C(C=C3)Cl)C4=CC=CS4

InChI

InChI=1S/C22H19ClN2O2S2/c1-27-17-8-4-15(5-9-17)20-13-19(21-3-2-12-28-21)24-25(20)22(26)14-29-18-10-6-16(23)7-11-18/h2-12,20H,13-14H2,1H3/t20-/m1/s1