3-azanyl-2-(2-fluoranylpropoxy)-4-(3-propylsulfinylpropyl)benzenecarbonitrile

Systemtic Name: 3-azanyl-2-(2-fluoranylpropoxy)-4-(3-propylsulfinylpropyl)benzenecarbonitrile Openeye Name: 3-amino-2-(2-fluoropropoxy)-4-(3-propylsulfinylpropyl)benzonitrile CAS Name: 3-amino-2-(2-fluoropropoxy)-4-(3-propylsulfinylpropyl)benzonitrile IUPAC Name: 3-amino-2-(2-fluoropropoxy)-4-(3-propylsulfinylpropyl)benzonitrile Traditional Name: 3-amino-2-(2-fluoropropoxy)-4-(3-propylsulfinylpropyl)benzonitrile Formula: C16H23FN2O2S MolecularWeight: 326.429423

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)CCCC1=C(C(=C(C=C1)C#N)OCC(C)F)N

Isomeric SMILES

CCCS(=O)CCCC1=C(C(=C(C=C1)C#N)OCC(C)F)N

InChI

InChI=1S/C16H23FN2O2S/c1-3-8-22(20)9-4-5-13-6-7-14(10-18)16(15(13)19)21-11-12(2)17/h6-7,12H,3-5,8-9,11,19H2,1-2H3