2-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-6-pyridin-4-yl-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-6-pyridin-4-yl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]sulfanyl-6-(4-pyridyl)-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-[[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]thio]-6-pyridin-4-yl-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-6-pyridin-4-yl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[[2-(1,3-benzodioxol-5-yl)-2-keto-ethyl]thio]-6-(4-pyridyl)-4-(trifluoromethyl)nicotinonitrile Formula: C21H12F3N3O3S MolecularWeight: 443.39849

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)CSC3=C(C(=CC(=N3)C4=CC=NC=C4)C(F)(F)F)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)CSC3=C(C(=CC(=N3)C4=CC=NC=C4)C(F)(F)F)C#N

InChI

InChI=1S/C21H12F3N3O3S/c22-21(23,24)15-8-16(12-3-5-26-6-4-12)27-20(14(15)9-25)31-10-17(28)13-1-2-18-19(7-13)30-11-29-18/h1-8H,10-11H2