3-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]thio]methyl]benzonitrile IUPAC Name: 3-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]thio]methyl]benzonitrile Formula: C16H9F3N2S2 MolecularWeight: 350.38127

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC2=NC3=C(S2)C=CC(=C3)C(F)(F)F)C#N

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=NC3=C(S2)C=CC(=C3)C(F)(F)F)C#N

InChI

InChI=1S/C16H9F3N2S2/c17-16(18,19)12-4-5-14-13(7-12)21-15(23-14)22-9-11-3-1-2-10(6-11)8-20/h1-7H,9H2