2-[5-[(5-bromanyl-2-methoxy-phenyl)methylidene]-4-oxidanylidene-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]-4,4-dimethyl-3-oxidanylidene-pentanenitrile

Systemtic Name: 2-[5-[(5-bromanyl-2-methoxy-phenyl)methylidene]-4-oxidanylidene-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]-4,4-dimethyl-3-oxidanylidene-pentanenitrile Openeye Name: 2-[3-allyl-5-[(5-bromo-2-methoxy-phenyl)methylene]-4-oxo-thiazolidin-2-ylidene]-4,4-dimethyl-3-oxo-pentanenitrile CAS Name: 2-[5-[(5-bromo-2-methoxyphenyl)methylidene]-4-oxo-3-prop-2-enyl-2-thiazolidinylidene]-4,4-dimethyl-3-oxopentanenitrile IUPAC Name: 2-[5-[(5-bromo-2-methoxyphenyl)methylidene]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]-4,4-dimethyl-3-oxopentanenitrile Traditional Name: 2-[3-allyl-5-(5-bromo-2-methoxy-benzylidene)-4-keto-thiazolidin-2-ylidene]-3-keto-4,4-dimethyl-valeronitrile Formula: C21H21BrN2O3S MolecularWeight: 461.37204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(=C1N(C(=O)C(=CC2=C(C=CC(=C2)Br)OC)S1)CC=C)C#N

Isomeric SMILES

CC(C)(C)C(=O)C(=C1N(C(=O)C(=CC2=C(C=CC(=C2)Br)OC)S1)CC=C)C#N

InChI

InChI=1S/C21H21BrN2O3S/c1-6-9-24-19(26)17(11-13-10-14(22)7-8-16(13)27-5)28-20(24)15(12-23)18(25)21(2,3)4/h6-8,10-11H,1,9H2,2-5H3