3-azanyl-5-(3-fluorophenyl)sulfanyl-2-(2-oxidanylpropoxy)-4-propyl-benzenecarbonitrile

Systemtic Name: 3-azanyl-5-(3-fluorophenyl)sulfanyl-2-(2-oxidanylpropoxy)-4-propyl-benzenecarbonitrile Openeye Name: 3-amino-5-(3-fluorophenyl)sulfanyl-2-(2-hydroxypropoxy)-4-propyl-benzonitrile CAS Name: 3-amino-5-[(3-fluorophenyl)thio]-2-(2-hydroxypropoxy)-4-propylbenzonitrile IUPAC Name: 3-amino-5-(3-fluorophenyl)sulfanyl-2-(2-hydroxypropoxy)-4-propylbenzonitrile Traditional Name: 3-amino-5-[(3-fluorophenyl)thio]-2-(2-hydroxypropoxy)-4-propyl-benzonitrile Formula: C19H21FN2O2S MolecularWeight: 360.445643

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(C(=C1N)OCC(C)O)C#N)SC2=CC=CC(=C2)F

Isomeric SMILES

CCCC1=C(C=C(C(=C1N)OCC(C)O)C#N)SC2=CC=CC(=C2)F

InChI

InChI=1S/C19H21FN2O2S/c1-3-5-16-17(25-15-7-4-6-14(20)9-15)8-13(10-21)19(18(16)22)24-11-12(2)23/h4,6-9,12,23H,3,5,11,22H2,1-2H3