2-[2-(4-fluorophenyl)sulfanylethoxy]-5-methanoyl-3-methoxy-benzenecarbonitrile

Systemtic Name: 2-[2-(4-fluorophenyl)sulfanylethoxy]-5-methanoyl-3-methoxy-benzenecarbonitrile Openeye Name: 2-[2-(4-fluorophenyl)sulfanylethoxy]-5-formyl-3-methoxy-benzonitrile CAS Name: 2-[2-[(4-fluorophenyl)thio]ethoxy]-5-formyl-3-methoxybenzonitrile IUPAC Name: 2-[2-(4-fluorophenyl)sulfanylethoxy]-5-formyl-3-methoxybenzonitrile Traditional Name: 2-[2-[(4-fluorophenyl)thio]ethoxy]-5-formyl-3-methoxy-benzonitrile Formula: C17H14FNO3S MolecularWeight: 331.361363

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=O)C#N)OCCSC2=CC=C(C=C2)F

Isomeric SMILES

COC1=C(C(=CC(=C1)C=O)C#N)OCCSC2=CC=C(C=C2)F

InChI

InChI=1S/C17H14FNO3S/c1-21-16-9-12(11-20)8-13(10-19)17(16)22-6-7-23-15-4-2-14(18)3-5-15/h2-5,8-9,11H,6-7H2,1H3