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

Systemtic Name: 3-(3-bromanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-2-[4-(3,4-dimethoxyphenyl)-3H-1,3-thiazol-2-ylidene]propanenitrile Openeye Name: 3-(3-bromo-5-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)-2-[4-(3,4-dimethoxyphenyl)-3H-thiazol-2-ylidene]propanenitrile CAS Name: 3-(3-bromo-5-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)-2-[4-(3,4-dimethoxyphenyl)-3H-thiazol-2-ylidene]propanenitrile IUPAC Name: 3-(3-bromo-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-2-[4-(3,4-dimethoxyphenyl)-3H-1,3-thiazol-2-ylidene]propanenitrile Traditional Name: 3-(3-bromo-4-keto-5-methoxy-cyclohexa-2,5-dien-1-ylidene)-2-[4-(3,4-dimethoxyphenyl)-4-thiazolin-2-ylidene]propionitrile Formula: C21H17BrN2O4S MolecularWeight: 473.33968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=C(C=C3C=C(C(=O)C(=C3)Br)OC)C#N)N2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=C(C=C3C=C(C(=O)C(=C3)Br)OC)C#N)N2)OC

InChI

InChI=1S/C21H17BrN2O4S/c1-26-17-5-4-13(9-18(17)27-2)16-11-29-21(24-16)14(10-23)6-12-7-15(22)20(25)19(8-12)28-3/h4-9,11,24H,1-3H3