3-[(4-fluoranyl-2-methyl-1-sulfinyl-pentyl)amino]-2-(2-oxidanylpropoxy)benzenecarbonitrile

Systemtic Name: 3-[(4-fluoranyl-2-methyl-1-sulfinyl-pentyl)amino]-2-(2-oxidanylpropoxy)benzenecarbonitrile Openeye Name: 3-[(4-fluoro-2-methyl-1-sulfinyl-pentyl)amino]-2-(2-hydroxypropoxy)benzonitrile CAS Name: 3-[(4-fluoro-2-methyl-1-sulfinylpentyl)amino]-2-(2-hydroxypropoxy)benzonitrile IUPAC Name: 3-[(4-fluoro-2-methyl-1-sulfinylpentyl)amino]-2-(2-hydroxypropoxy)benzonitrile Traditional Name: 3-[(4-fluoro-2-methyl-1-sulfinyl-pentyl)amino]-2-(2-hydroxypropoxy)benzonitrile Formula: C16H21FN2O3S MolecularWeight: 340.412943

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C)F)C(=S=O)NC1=CC=CC(=C1OCC(C)O)C#N

Isomeric SMILES

CC(CC(C)F)C(=S=O)NC1=CC=CC(=C1OCC(C)O)C#N

InChI

InChI=1S/C16H21FN2O3S/c1-10(7-11(2)17)16(23-21)19-14-6-4-5-13(8-18)15(14)22-9-12(3)20/h4-6,10-12,19-20H,7,9H2,1-3H3