[(3E)-3-cyano-2-oxidanylidene-3-(4-phenyl-3H-1,3-thiazol-2-ylidene)propyl]-bis(3-methylbutyl)azanium

Systemtic Name: [(3E)-3-cyano-2-oxidanylidene-3-(4-phenyl-3H-1,3-thiazol-2-ylidene)propyl]-bis(3-methylbutyl)azanium Openeye Name: [(3E)-3-cyano-2-oxo-3-(4-phenyl-3H-thiazol-2-ylidene)propyl]-diisopentyl-ammonium CAS Name: [(3E)-3-cyano-2-oxo-3-(4-phenyl-3H-thiazol-2-ylidene)propyl]-bis(3-methylbutyl)ammonium IUPAC Name: [(3E)-3-cyano-2-oxo-3-(4-phenyl-3H-1,3-thiazol-2-ylidene)propyl]-bis(3-methylbutyl)azanium Traditional Name: [(3E)-3-cyano-2-keto-3-(4-phenyl-4-thiazolin-2-ylidene)propyl]-diisoamyl-ammonium Formula: C23H32N3OS+ MolecularWeight: 398.58468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[NH+](CCC(C)C)CC(=O)C(=C1NC(=CS1)C2=CC=CC=C2)C#N

Isomeric SMILES

CC(C)CC[NH+](CCC(C)C)CC(=O)/C(=C/1\NC(=CS1)C2=CC=CC=C2)/C#N

InChI

InChI=1S/C23H31N3OS/c1-17(2)10-12-26(13-11-18(3)4)15-22(27)20(14-24)23-25-21(16-28-23)19-8-6-5-7-9-19/h5-9,16-18,25H,10-13,15H2,1-4H3/p+1/b23-20+