3-(2-methylphenyl)-3-oxidanylidene-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanenitrile

Systemtic Name: 3-(2-methylphenyl)-3-oxidanylidene-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanenitrile Openeye Name: 3-(o-tolyl)-3-oxo-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanenitrile CAS Name: 3-(2-methylphenyl)-3-oxo-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanenitrile IUPAC Name: 3-(2-methylphenyl)-3-oxo-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanenitrile Traditional Name: 3-keto-3-(o-tolyl)-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propionitrile Formula: C18H11F3N2OS MolecularWeight: 360.35295

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)C(C#N)C2=NC3=C(S2)C=CC(=C3)C(F)(F)F

Isomeric SMILES

CC1=CC=CC=C1C(=O)C(C#N)C2=NC3=C(S2)C=CC(=C3)C(F)(F)F

InChI

InChI=1S/C18H11F3N2OS/c1-10-4-2-3-5-12(10)16(24)13(9-22)17-23-14-8-11(18(19,20)21)6-7-15(14)25-17/h2-8,13H,1H3