3-(4-methyl-3-nitro-phenyl)-3-oxidanylidene-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanenitrile

Systemtic Name: 3-(4-methyl-3-nitro-phenyl)-3-oxidanylidene-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanenitrile Openeye Name: 3-(4-methyl-3-nitro-phenyl)-3-oxo-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanenitrile CAS Name: 3-(4-methyl-3-nitrophenyl)-3-oxo-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanenitrile IUPAC Name: 3-(4-methyl-3-nitrophenyl)-3-oxo-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanenitrile Traditional Name: 3-keto-3-(4-methyl-3-nitro-phenyl)-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propionitrile Formula: C18H10F3N3O3S MolecularWeight: 405.35051

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(C#N)C2=NC3=C(S2)C=CC(=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C(C#N)C2=NC3=C(S2)C=CC(=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H10F3N3O3S/c1-9-2-3-10(6-14(9)24(26)27)16(25)12(8-22)17-23-13-7-11(18(19,20)21)4-5-15(13)28-17/h2-7,12H,1H3