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

Systemtic Name: 2-[(4-chlorophenyl)methyl]-4-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-1,3-thiazole Openeye Name: 2-[(4-chlorophenyl)methyl]-4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanylmethyl]thiazole CAS Name: 2-[(4-chlorophenyl)methyl]-4-[[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]methyl]thiazole IUPAC Name: 2-[(4-chlorophenyl)methyl]-4-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-1,3-thiazole Traditional Name: 2-(4-chlorobenzyl)-4-[[(5-pyrrolidinosulfonyl-2-pyridyl)thio]methyl]thiazole Formula: C20H20ClN3O2S3 MolecularWeight: 466.0397

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CSC(=N3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CSC(=N3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H20ClN3O2S3/c21-16-5-3-15(4-6-16)11-20-23-17(14-28-20)13-27-19-8-7-18(12-22-19)29(25,26)24-9-1-2-10-24/h3-8,12,14H,1-2,9-11,13H2