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

Systemtic Name: 2-(2,4-dimethylphenyl)-4-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-1,3-oxazole Openeye Name: 2-(2,4-dimethylphenyl)-4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanylmethyl]oxazole CAS Name: 2-(2,4-dimethylphenyl)-4-[[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]methyl]oxazole IUPAC Name: 2-(2,4-dimethylphenyl)-4-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-1,3-oxazole Traditional Name: 2-(2,4-dimethylphenyl)-4-[[(5-pyrrolidinosulfonyl-2-pyridyl)thio]methyl]oxazole Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S2/c1-15-5-7-19(16(2)11-15)21-23-17(13-27-21)14-28-20-8-6-18(12-22-20)29(25,26)24-9-3-4-10-24/h5-8,11-13H,3-4,9-10,14H2,1-2H3