N-[1-(3-fluoranyl-4-methoxy-phenyl)ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide

Systemtic Name: N-[1-(3-fluoranyl-4-methoxy-phenyl)ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide Openeye Name: N-[1-(3-fluoro-4-methoxy-phenyl)ethyl]-2-[(3-methylisoxazol-5-yl)methylsulfanyl]benzamide CAS Name: N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-[(3-methyl-5-isoxazolyl)methylthio]benzamide IUPAC Name: N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide Traditional Name: N-[1-(3-fluoro-4-methoxy-phenyl)ethyl]-2-[(3-methylisoxazol-5-yl)methylthio]benzamide Formula: C21H21FN2O3S MolecularWeight: 400.466443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)CSC2=CC=CC=C2C(=O)NC(C)C3=CC(=C(C=C3)OC)F

Isomeric SMILES

CC1=NOC(=C1)CSC2=CC=CC=C2C(=O)NC(C)C3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C21H21FN2O3S/c1-13-10-16(27-24-13)12-28-20-7-5-4-6-17(20)21(25)23-14(2)15-8-9-19(26-3)18(22)11-15/h4-11,14H,12H2,1-3H3,(H,23,25)