6-(3,4-dimethoxyphenyl)-2-prop-2-enylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 6-(3,4-dimethoxyphenyl)-2-prop-2-enylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-allylsulfanyl-6-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-(3,4-dimethoxyphenyl)-2-(prop-2-enylthio)-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-(3,4-dimethoxyphenyl)-2-prop-2-enylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-(allylthio)-6-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)nicotinonitrile Formula: C18H15F3N2O2S MolecularWeight: 380.38411

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC=C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC=C)OC

InChI

InChI=1S/C18H15F3N2O2S/c1-4-7-26-17-12(10-22)13(18(19,20)21)9-14(23-17)11-5-6-15(24-2)16(8-11)25-3/h4-6,8-9H,1,7H2,2-3H3