3-(3-bromanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-2-[5-(trifluoromethyl)-3H-1,3-benzothiazol-2-ylidene]propanenitrile

Systemtic Name: 3-(3-bromanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-2-[5-(trifluoromethyl)-3H-1,3-benzothiazol-2-ylidene]propanenitrile Openeye Name: 3-(3-bromo-5-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)-2-[5-(trifluoromethyl)-3H-1,3-benzothiazol-2-ylidene]propanenitrile CAS Name: 3-(3-bromo-5-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)-2-[5-(trifluoromethyl)-3H-1,3-benzothiazol-2-ylidene]propanenitrile IUPAC Name: 3-(3-bromo-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-2-[5-(trifluoromethyl)-3H-1,3-benzothiazol-2-ylidene]propanenitrile Traditional Name: 3-(3-bromo-4-keto-5-methoxy-cyclohexa-2,5-dien-1-ylidene)-2-[5-(trifluoromethyl)-3H-1,3-benzothiazol-2-ylidene]propionitrile Formula: C18H10BrF3N2O2S MolecularWeight: 455.24841

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C2NC3=C(S2)C=CC(=C3)C(F)(F)F)C#N)C=C(C1=O)Br

Isomeric SMILES

COC1=CC(=CC(=C2NC3=C(S2)C=CC(=C3)C(F)(F)F)C#N)C=C(C1=O)Br

InChI

InChI=1S/C18H10BrF3N2O2S/c1-26-14-6-9(5-12(19)16(14)25)4-10(8-23)17-24-13-7-11(18(20,21)22)2-3-15(13)27-17/h2-7,24H,1H3