3-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]benzenecarbonitrile

Systemtic Name: 3-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]benzenecarbonitrile Openeye Name: 3-[2-(3,4-diethoxyphenyl)thiazol-4-yl]benzonitrile CAS Name: 3-[2-(3,4-diethoxyphenyl)-4-thiazolyl]benzonitrile IUPAC Name: 3-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]benzonitrile Traditional Name: 3-[2-(3,4-diethoxyphenyl)thiazol-4-yl]benzonitrile Formula: C20H18N2O2S MolecularWeight: 350.43412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NC(=CS2)C3=CC=CC(=C3)C#N)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NC(=CS2)C3=CC=CC(=C3)C#N)OCC

InChI

InChI=1S/C20H18N2O2S/c1-3-23-18-9-8-16(11-19(18)24-4-2)20-22-17(13-25-20)15-7-5-6-14(10-15)12-21/h5-11,13H,3-4H2,1-2H3