3-oxidanylidene-2-(4-phenyl-1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanenitrile

Systemtic Name: 3-oxidanylidene-2-(4-phenyl-1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanenitrile Openeye Name: 3-oxo-2-(4-phenylthiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanenitrile CAS Name: 3-oxo-2-(4-phenyl-2-thiazolyl)-3-(3,4,5-trimethoxyphenyl)propanenitrile IUPAC Name: 3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanenitrile Traditional Name: 3-keto-2-(4-phenylthiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)propionitrile Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)C(C#N)C2=NC(=CS2)C3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)C(C#N)C2=NC(=CS2)C3=CC=CC=C3

InChI

InChI=1S/C21H18N2O4S/c1-25-17-9-14(10-18(26-2)20(17)27-3)19(24)15(11-22)21-23-16(12-28-21)13-7-5-4-6-8-13/h4-10,12,15H,1-3H3