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

Systemtic Name: 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxidanylidene-3-(3,4,5-trimethoxyphenyl)propanenitrile Openeye Name: 3-oxo-2-[4-(p-tolyl)thiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)propanenitrile CAS Name: 2-[4-(4-methylphenyl)-2-thiazolyl]-3-oxo-3-(3,4,5-trimethoxyphenyl)propanenitrile IUPAC Name: 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-3-(3,4,5-trimethoxyphenyl)propanenitrile Traditional Name: 3-keto-2-[4-(p-tolyl)thiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)propionitrile Formula: C22H20N2O4S MolecularWeight: 408.4702

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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(=C3)OC)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O4S/c1-13-5-7-14(8-6-13)17-12-29-22(24-17)16(11-23)20(25)15-9-18(26-2)21(28-4)19(10-15)27-3/h5-10,12,16H,1-4H3