3-(2-bromanyl-3,4,5-trimethoxy-phenyl)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxidanylidene-propanenitrile

Systemtic Name: 3-(2-bromanyl-3,4,5-trimethoxy-phenyl)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxidanylidene-propanenitrile Openeye Name: 3-(2-bromo-3,4,5-trimethoxy-phenyl)-3-oxo-2-[4-(p-tolyl)thiazol-2-yl]propanenitrile CAS Name: 3-(2-bromo-3,4,5-trimethoxyphenyl)-2-[4-(4-methylphenyl)-2-thiazolyl]-3-oxopropanenitrile IUPAC Name: 3-(2-bromo-3,4,5-trimethoxyphenyl)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxopropanenitrile Traditional Name: 3-(2-bromo-3,4,5-trimethoxy-phenyl)-3-keto-2-[4-(p-tolyl)thiazol-2-yl]propionitrile Formula: C22H19BrN2O4S MolecularWeight: 487.36626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=N2)C(C#N)C(=O)C3=CC(=C(C(=C3Br)OC)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=N2)C(C#N)C(=O)C3=CC(=C(C(=C3Br)OC)OC)OC

InChI

InChI=1S/C22H19BrN2O4S/c1-12-5-7-13(8-6-12)16-11-30-22(25-16)15(10-24)19(26)14-9-17(27-2)20(28-3)21(29-4)18(14)23/h5-9,11,15H,1-4H3