2-(3-azanyl-2-oxidanyl-propoxy)-4-(3-fluorophenyl)sulfanyl-3-propyl-benzenecarbonitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1OCC(CN)O)C#N)SC2=CC=CC(=C2)F

Isomeric SMILES

CCCC1=C(C=CC(=C1OCC(CN)O)C#N)SC2=CC=CC(=C2)F

InChI

InChI=1S/C19H21FN2O2S/c1-2-4-17-18(25-16-6-3-5-14(20)9-16)8-7-13(10-21)19(17)24-12-15(23)11-22/h3,5-9,15,23H,2,4,11-12,22H2,1H3