1-[(3S)-5-(4-chlorophenyl)-3-(furan-2-yl)-1,3-dihydropyrazol-2-yl]-2-pyrimidin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[(3S)-5-(4-chlorophenyl)-3-(furan-2-yl)-1,3-dihydropyrazol-2-yl]-2-pyrimidin-2-ylsulfanyl-ethanone Openeye Name: 1-[(3S)-5-(4-chlorophenyl)-3-(2-furyl)-1,3-dihydropyrazol-2-yl]-2-pyrimidin-2-ylsulfanyl-ethanone CAS Name: 1-[(3S)-5-(4-chlorophenyl)-3-(2-furanyl)-1,3-dihydropyrazol-2-yl]-2-(2-pyrimidinylthio)ethanone IUPAC Name: 1-[(3S)-5-(4-chlorophenyl)-3-(furan-2-yl)-1,3-dihydropyrazol-2-yl]-2-pyrimidin-2-ylsulfanylethanone Traditional Name: 1-[(5S)-3-(4-chlorophenyl)-5-(2-furyl)-3-pyrazolin-1-yl]-2-(2-pyrimidylthio)ethanone Formula: C19H15ClN4O2S MolecularWeight: 398.866

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)SCC(=O)N2C(C=C(N2)C3=CC=C(C=C3)Cl)C4=CC=CO4

Isomeric SMILES

C1=CN=C(N=C1)SCC(=O)N2[C@@H](C=C(N2)C3=CC=C(C=C3)Cl)C4=CC=CO4

InChI

InChI=1S/C19H15ClN4O2S/c20-14-6-4-13(5-7-14)15-11-16(17-3-1-10-26-17)24(23-15)18(25)12-27-19-21-8-2-9-22-19/h1-11,16,23H,12H2/t16-/m0/s1