2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]ethanenitrile

Systemtic Name: 2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]ethanenitrile Openeye Name: 2-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]acetonitrile CAS Name: 2-[4-(3,4-dimethoxyphenyl)-2-thiazolyl]acetonitrile IUPAC Name: 2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetonitrile Traditional Name: 2-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]acetonitrile Formula: C13H12N2O2S MolecularWeight: 260.31158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=N2)CC#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=N2)CC#N)OC

InChI

InChI=1S/C13H12N2O2S/c1-16-11-4-3-9(7-12(11)17-2)10-8-18-13(15-10)5-6-14/h3-4,7-8H,5H2,1-2H3