4-[[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylmethyl]-2-(2,4-dimethylphenyl)-1,3-oxazole

Systemtic Name: 4-[[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylmethyl]-2-(2,4-dimethylphenyl)-1,3-oxazole Openeye Name: 4-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanylmethyl]-2-(2,4-dimethylphenyl)oxazole CAS Name: 4-[[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]methyl]-2-(2,4-dimethylphenyl)oxazole IUPAC Name: 4-[[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylmethyl]-2-(2,4-dimethylphenyl)-1,3-oxazole Traditional Name: 4-[[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]methyl]-2-(2,4-dimethylphenyl)oxazole Formula: C23H27N3O3S2 MolecularWeight: 457.60878

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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)N4CCCCCC4)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NC(=CO2)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCCCC4)C

InChI

InChI=1S/C23H27N3O3S2/c1-17-7-9-21(18(2)13-17)23-25-19(15-29-23)16-30-22-10-8-20(14-24-22)31(27,28)26-11-5-3-4-6-12-26/h7-10,13-15H,3-6,11-12,16H2,1-2H3