2-hexadecylsulfanyl-4-thiophen-2-yl-6-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 2-hexadecylsulfanyl-4-thiophen-2-yl-6-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-hexadecylsulfanyl-4-(2-thienyl)-6-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-(hexadecylthio)-4-thiophen-2-yl-6-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-hexadecylsulfanyl-4-thiophen-2-yl-6-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-(cetylthio)-4-(2-thienyl)-6-(trifluoromethyl)nicotinonitrile Formula: C27H37F3N2S2 MolecularWeight: 510.72129

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC1=C(C(=CC(=N1)C(F)(F)F)C2=CC=CS2)C#N

Isomeric SMILES

CCCCCCCCCCCCCCCCSC1=C(C(=CC(=N1)C(F)(F)F)C2=CC=CS2)C#N

InChI

InChI=1S/C27H37F3N2S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-34-26-23(21-31)22(24-17-16-19-33-24)20-25(32-26)27(28,29)30/h16-17,19-20H,2-15,18H2,1H3