3-azanyl-4-[3-(trifluoromethyl)phenyl]sulfanyl-benzenecarbonitrile

Systemtic Name: 3-azanyl-4-[3-(trifluoromethyl)phenyl]sulfanyl-benzenecarbonitrile Openeye Name: 3-amino-4-[3-(trifluoromethyl)phenyl]sulfanyl-benzonitrile CAS Name: 3-amino-4-[[3-(trifluoromethyl)phenyl]thio]benzonitrile IUPAC Name: 3-amino-4-[3-(trifluoromethyl)phenyl]sulfanylbenzonitrile Traditional Name: 3-amino-4-[[3-(trifluoromethyl)phenyl]thio]benzonitrile Formula: C14H9F3N2S MolecularWeight: 294.29487

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)SC2=C(C=C(C=C2)C#N)N)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)SC2=C(C=C(C=C2)C#N)N)C(F)(F)F

InChI

InChI=1S/C14H9F3N2S/c15-14(16,17)10-2-1-3-11(7-10)20-13-5-4-9(8-18)6-12(13)19/h1-7H,19H2