(2E)-3-(2-methylphenyl)-3-oxidanylidene-2-[5-(trifluoromethyl)-3H-1,3-benzothiazol-2-ylidene]propanenitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)C(=C2NC3=C(S2)C=CC(=C3)C(F)(F)F)C#N

Isomeric SMILES

CC1=CC=CC=C1C(=O)/C(=C/2\NC3=C(S2)C=CC(=C3)C(F)(F)F)/C#N

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/h2-8,23H,1H3/b17-13+