2-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-4,5,6-trimethyl-pyridine-3-carbonitrile

Systemtic Name: 2-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-4,5,6-trimethyl-pyridine-3-carbonitrile Openeye Name: 2-[[2-(2,3-dimethoxyphenyl)thiazol-4-yl]methylsulfanyl]-4,5,6-trimethyl-pyridine-3-carbonitrile CAS Name: 2-[[2-(2,3-dimethoxyphenyl)-4-thiazolyl]methylthio]-4,5,6-trimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-4,5,6-trimethylpyridine-3-carbonitrile Traditional Name: 2-[[2-(2,3-dimethoxyphenyl)thiazol-4-yl]methylthio]-4,5,6-trimethyl-nicotinonitrile Formula: C21H21N3O2S2 MolecularWeight: 411.54034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C#N)SCC2=CSC(=N2)C3=C(C(=CC=C3)OC)OC)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C#N)SCC2=CSC(=N2)C3=C(C(=CC=C3)OC)OC)C

InChI

InChI=1S/C21H21N3O2S2/c1-12-13(2)17(9-22)21(23-14(12)3)28-11-15-10-27-20(24-15)16-7-6-8-18(25-4)19(16)26-5/h6-8,10H,11H2,1-5H3