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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=C(C(=CC(=N2)C3=CC=CS3)C(F)(F)F)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=C(C(=CC(=N2)C3=CC=CS3)C(F)(F)F)C#N)[N+](=O)[O-]

InChI

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