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

Systemtic Name: 2-(4-methylphenyl)-4-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-1,3-oxazole Openeye Name: 2-(p-tolyl)-4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanylmethyl]oxazole CAS Name: 2-(4-methylphenyl)-4-[[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]methyl]oxazole IUPAC Name: 2-(4-methylphenyl)-4-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-1,3-oxazole Traditional Name: 2-(p-tolyl)-4-[[(5-pyrrolidinosulfonyl-2-pyridyl)thio]methyl]oxazole Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CO2)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CO2)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C20H21N3O3S2/c1-15-4-6-16(7-5-15)20-22-17(13-26-20)14-27-19-9-8-18(12-21-19)28(24,25)23-10-2-3-11-23/h4-9,12-13H,2-3,10-11,14H2,1H3