4-[2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanylethylamino]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanylethylamino]-3-nitro-benzenecarbonitrile Openeye Name: 4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]sulfanyl]ethylamino]-3-nitro-benzonitrile CAS Name: 4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]ethylamino]-3-nitrobenzonitrile IUPAC Name: 4-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylethylamino]-3-nitrobenzonitrile Traditional Name: 4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]thio]ethylamino]-3-nitro-benzonitrile Formula: C15H10ClF3N4O2S MolecularWeight: 402.77871

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)[N+](=O)[O-])NCCSC2=C(C=C(C=N2)C(F)(F)F)Cl

Isomeric SMILES

C1=CC(=C(C=C1C#N)[N+](=O)[O-])NCCSC2=C(C=C(C=N2)C(F)(F)F)Cl

InChI

InChI=1S/C15H10ClF3N4O2S/c16-11-6-10(15(17,18)19)8-22-14(11)26-4-3-21-12-2-1-9(7-20)5-13(12)23(24)25/h1-2,5-6,8,21H,3-4H2