3-[[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]sulfanylmethyl]oxolan-2-one

Systemtic Name: 3-[[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]sulfanylmethyl]oxolan-2-one Openeye Name: 3-[[5-(4-chlorophenyl)-4-(4-pyridyl)-1H-pyrazol-3-yl]sulfanylmethyl]tetrahydrofuran-2-one CAS Name: 3-[[[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]thio]methyl]-2-oxolanone IUPAC Name: 3-[[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]sulfanylmethyl]oxolan-2-one Traditional Name: 3-[[[5-(4-chlorophenyl)-4-(4-pyridyl)-1H-pyrazol-3-yl]thio]methyl]tetrahydrofuran-2-one Formula: C19H16ClN3O2S MolecularWeight: 385.86724

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(=O)C1CSC2=NNC(=C2C3=CC=NC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1COC(=O)C1CSC2=NNC(=C2C3=CC=NC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C19H16ClN3O2S/c20-15-3-1-13(2-4-15)17-16(12-5-8-21-9-6-12)18(23-22-17)26-11-14-7-10-25-19(14)24/h1-6,8-9,14H,7,10-11H2,(H,22,23)