5-[2-azanyl-4-(trifluoromethyl)phenyl]sulfanylpentanenitrile

Systemtic Name: 5-[2-azanyl-4-(trifluoromethyl)phenyl]sulfanylpentanenitrile Openeye Name: 5-[2-amino-4-(trifluoromethyl)phenyl]sulfanylpentanenitrile CAS Name: 5-[[2-amino-4-(trifluoromethyl)phenyl]thio]pentanenitrile IUPAC Name: 5-[2-amino-4-(trifluoromethyl)phenyl]sulfanylpentanenitrile Traditional Name: 5-[[2-amino-4-(trifluoromethyl)phenyl]thio]valeronitrile Formula: C12H13F3N2S MolecularWeight: 274.30523

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(F)(F)F)N)SCCCCC#N

Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)N)SCCCCC#N

InChI

InChI=1S/C12H13F3N2S/c13-12(14,15)9-4-5-11(10(17)8-9)18-7-3-1-2-6-16/h4-5,8H,1-3,7,17H2