3-[4-(5-cyanohexan-3-yl)phenyl]sulfonyl-5-isocyano-2,4-bis(trifluoromethyl)cyclopenta-1,4-diene-1-carbonitrile

Systemtic Name: 3-[4-(5-cyanohexan-3-yl)phenyl]sulfonyl-5-isocyano-2,4-bis(trifluoromethyl)cyclopenta-1,4-diene-1-carbonitrile Openeye Name: 3-[4-(3-cyano-1-ethyl-butyl)phenyl]sulfonyl-5-isocyano-2,4-bis(trifluoromethyl)cyclopenta-1,4-diene-1-carbonitrile CAS Name: 3-[4-(5-cyanohexan-3-yl)phenyl]sulfonyl-5-isocyano-2,4-bis(trifluoromethyl)-1-cyclopenta-1,4-dienecarbonitrile IUPAC Name: 3-[4-(5-cyanohexan-3-yl)phenyl]sulfonyl-5-isocyano-2,4-bis(trifluoromethyl)cyclopenta-1,4-diene-1-carbonitrile Traditional Name: 3-[4-(3-cyano-1-ethyl-butyl)phenyl]sulfonyl-5-isocyano-2,4-bis(trifluoromethyl)cyclopenta-1,4-diene-1-carbonitrile Formula: C22H17F6N3O2S MolecularWeight: 501.444699

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C)C#N)C1=CC=C(C=C1)S(=O)(=O)C2C(=C(C(=C2C(F)(F)F)[N+]#[C-])C#N)C(F)(F)F

Isomeric SMILES

CCC(CC(C)C#N)C1=CC=C(C=C1)S(=O)(=O)C2C(=C(C(=C2C(F)(F)F)[N+]#[C-])C#N)C(F)(F)F

InChI

InChI=1S/C22H17F6N3O2S/c1-4-13(9-12(2)10-29)14-5-7-15(8-6-14)34(32,33)20-17(21(23,24)25)16(11-30)19(31-3)18(20)22(26,27)28/h5-8,12-13,20H,4,9H2,1-2H3