6-[(3,4-dimethoxyphenyl)methyl]-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile

Systemtic Name: 6-[(3,4-dimethoxyphenyl)methyl]-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile Openeye Name: 6-[(3,4-dimethoxyphenyl)methyl]-2-thioxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile CAS Name: 6-[(3,4-dimethoxyphenyl)methyl]-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile IUPAC Name: 6-[(3,4-dimethoxyphenyl)methyl]-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile Traditional Name: 2-thioxo-4-(trifluoromethyl)-6-veratryl-1H-pyridine-3-carbonitrile Formula: C16H13F3N2O2S MolecularWeight: 354.34683

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=CC(=C(C(=S)N2)C#N)C(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=CC(=C(C(=S)N2)C#N)C(F)(F)F)OC

InChI

InChI=1S/C16H13F3N2O2S/c1-22-13-4-3-9(6-14(13)23-2)5-10-7-12(16(17,18)19)11(8-20)15(24)21-10/h3-4,6-7H,5H2,1-2H3,(H,21,24)