1-[(3R)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-quinazolin-4-ylsulfanyl-ethanone

Systemtic Name: 1-[(3R)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-quinazolin-4-ylsulfanyl-ethanone Openeye Name: 1-[(3R)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-quinazolin-4-ylsulfanyl-ethanone CAS Name: 1-[(3R)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-(4-quinazolinylthio)ethanone IUPAC Name: 1-[(3R)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-quinazolin-4-ylsulfanylethanone Traditional Name: 1-[(5R)-3,5-bis(4-methoxyphenyl)-2-pyrazolin-1-yl]-2-(quinazolin-4-ylthio)ethanone Formula: C27H24N4O3S MolecularWeight: 484.56946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=NC=NC4=CC=CC=C43)C5=CC=C(C=C5)OC

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CC(=NN2C(=O)CSC3=NC=NC4=CC=CC=C43)C5=CC=C(C=C5)OC

InChI

InChI=1S/C27H24N4O3S/c1-33-20-11-7-18(8-12-20)24-15-25(19-9-13-21(34-2)14-10-19)31(30-24)26(32)16-35-27-22-5-3-4-6-23(22)28-17-29-27/h3-14,17,25H,15-16H2,1-2H3/t25-/m1/s1