3-[[2-azanyl-4-(trifluoromethyl)phenyl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[[2-azanyl-4-(trifluoromethyl)phenyl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[2-amino-4-(trifluoromethyl)phenyl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[2-amino-4-(trifluoromethyl)phenyl]thio]methyl]benzonitrile IUPAC Name: 3-[[2-amino-4-(trifluoromethyl)phenyl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[2-amino-4-(trifluoromethyl)phenyl]thio]methyl]benzonitrile Formula: C15H11F3N2S MolecularWeight: 308.32145

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC2=C(C=C(C=C2)C(F)(F)F)N)C#N

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=C(C=C(C=C2)C(F)(F)F)N)C#N

InChI

InChI=1S/C15H11F3N2S/c16-15(17,18)12-4-5-14(13(20)7-12)21-9-11-3-1-2-10(6-11)8-19/h1-7H,9,20H2