N-[(3-chloranyl-2-methyl-6-oxidanyl-5-propan-2-yl-phenyl)methyl]-2-(4-methylpyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(3-chloranyl-2-methyl-6-oxidanyl-5-propan-2-yl-phenyl)methyl]-2-(4-methylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-[(5-chloro-2-hydroxy-3-isopropyl-6-methyl-phenyl)methyl]-2-(4-methylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[(5-chloro-2-hydroxy-6-methyl-3-propan-2-ylphenyl)methyl]-2-[(4-methyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-[(5-chloro-2-hydroxy-6-methyl-3-propan-2-ylphenyl)methyl]-2-(4-methylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(5-chloro-2-hydroxy-3-isopropyl-6-methyl-benzyl)-2-[(4-methylpyrimidin-2-yl)thio]acetamide Formula: C18H22ClN3O2S MolecularWeight: 379.90418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SCC(=O)NCC2=C(C(=CC(=C2C)Cl)C(C)C)O

Isomeric SMILES

CC1=NC(=NC=C1)SCC(=O)NCC2=C(C(=CC(=C2C)Cl)C(C)C)O

InChI

InChI=1S/C18H22ClN3O2S/c1-10(2)13-7-15(19)12(4)14(17(13)24)8-21-16(23)9-25-18-20-6-5-11(3)22-18/h5-7,10,24H,8-9H2,1-4H3,(H,21,23)