2-[(4-nitrophenyl)methylsulfanyl]-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 2-[(4-nitrophenyl)methylsulfanyl]-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-[(4-nitrophenyl)methylsulfanyl]-6-(2-thienyl)-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-[(4-nitrophenyl)methylthio]-6-thiophen-2-yl-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-[(4-nitrophenyl)methylsulfanyl]-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[(4-nitrobenzyl)thio]-6-(2-thienyl)-4-(trifluoromethyl)nicotinonitrile Formula: C18H10F3N3O2S2 MolecularWeight: 421.41611

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CSC(=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H10F3N3O2S2/c19-18(20,21)14-8-15(16-2-1-7-27-16)23-17(13(14)9-22)28-10-11-3-5-12(6-4-11)24(25)26/h1-8H,10H2