3-(4-chlorophenyl)-5-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-1,2-oxazole

Systemtic Name: 3-(4-chlorophenyl)-5-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-1,2-oxazole Openeye Name: 3-(4-chlorophenyl)-5-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanylmethyl]isoxazole CAS Name: 3-(4-chlorophenyl)-5-[[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]methyl]isoxazole IUPAC Name: 3-(4-chlorophenyl)-5-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-1,2-oxazole Traditional Name: 3-(4-chlorophenyl)-5-[[(5-pyrrolidinosulfonyl-2-pyridyl)thio]methyl]isoxazole Formula: C19H18ClN3O3S2 MolecularWeight: 435.94752

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CC(=NO3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CC(=NO3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C19H18ClN3O3S2/c20-15-5-3-14(4-6-15)18-11-16(26-22-18)13-27-19-8-7-17(12-21-19)28(24,25)23-9-1-2-10-23/h3-8,11-12H,1-2,9-10,13H2