3-azanyl-5-(2-fluoranylpropylsulfinyl)-2-(2-oxidanylpropoxy)-4-propyl-benzenecarbonitrile

Systemtic Name: 3-azanyl-5-(2-fluoranylpropylsulfinyl)-2-(2-oxidanylpropoxy)-4-propyl-benzenecarbonitrile Openeye Name: 3-amino-5-(2-fluoropropylsulfinyl)-2-(2-hydroxypropoxy)-4-propyl-benzonitrile CAS Name: 3-amino-5-(2-fluoropropylsulfinyl)-2-(2-hydroxypropoxy)-4-propylbenzonitrile IUPAC Name: 3-amino-5-(2-fluoropropylsulfinyl)-2-(2-hydroxypropoxy)-4-propylbenzonitrile Traditional Name: 3-amino-5-(2-fluoropropylsulfinyl)-2-(2-hydroxypropoxy)-4-propyl-benzonitrile Formula: C16H23FN2O3S MolecularWeight: 342.428823

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(C(=C1N)OCC(C)O)C#N)S(=O)CC(C)F

Isomeric SMILES

CCCC1=C(C=C(C(=C1N)OCC(C)O)C#N)S(=O)CC(C)F

InChI

InChI=1S/C16H23FN2O3S/c1-4-5-13-14(23(21)9-10(2)17)6-12(7-18)16(15(13)19)22-8-11(3)20/h6,10-11,20H,4-5,8-9,19H2,1-3H3