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

Systemtic Name: dibutyl-[(3E)-3-cyano-2-oxidanylidene-3-(4-phenyl-3H-1,3-thiazol-2-ylidene)propyl]azanium Openeye Name: dibutyl-[(3E)-3-cyano-2-oxo-3-(4-phenyl-3H-thiazol-2-ylidene)propyl]ammonium CAS Name: dibutyl-[(3E)-3-cyano-2-oxo-3-(4-phenyl-3H-thiazol-2-ylidene)propyl]ammonium IUPAC Name: dibutyl-[(3E)-3-cyano-2-oxo-3-(4-phenyl-3H-1,3-thiazol-2-ylidene)propyl]azanium Traditional Name: dibutyl-[(3E)-3-cyano-2-keto-3-(4-phenyl-4-thiazolin-2-ylidene)propyl]ammonium Formula: C21H28N3OS+ MolecularWeight: 370.53152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3OS/c1-3-5-12-24(13-6-4-2)15-20(25)18(14-22)21-23-19(16-26-21)17-10-8-7-9-11-17/h7-11,16,23H,3-6,12-13,15H2,1-2H3/p+1/b21-18+