3-[[4-azanyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[[4-azanyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 3-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C11H8F3N5S MolecularWeight: 299.27493

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC2=NN=C(N2N)C(F)(F)F)C#N

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=NN=C(N2N)C(F)(F)F)C#N

InChI

InChI=1S/C11H8F3N5S/c12-11(13,14)9-17-18-10(19(9)16)20-6-8-3-1-2-7(4-8)5-15/h1-4H,6,16H2