butylazanium; (E)-1-(2-chlorophenyl)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenolate

Systemtic Name: butylazanium; (E)-1-(2-chlorophenyl)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenolate Openeye Name: butylammonium; (E)-1-(2-chlorophenyl)-2-cyano-2-(4-phenylthiazol-2-yl)ethenolate CAS Name: butylammonium; (E)-1-(2-chlorophenyl)-2-cyano-2-(4-phenyl-2-thiazolyl)ethenolate IUPAC Name: butylazanium; (E)-1-(2-chlorophenyl)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenolate Traditional Name: butylammonium; (E)-1-(2-chlorophenyl)-2-cyano-2-(4-phenylthiazol-2-yl)ethenolate Formula: C22H22ClN3OS MolecularWeight: 411.94758

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH3+].C1=CC=C(C=C1)C2=CSC(=N2)C(=C(C3=CC=CC=C3Cl)[O-])C#N

Isomeric SMILES

CCCC[NH3+].C1=CC=C(C=C1)C2=CSC(=N2)/C(=C(\C3=CC=CC=C3Cl)/[O-])/C#N

InChI

InChI=1S/C18H11ClN2OS.C4H11N/c19-15-9-5-4-8-13(15)17(22)14(10-20)18-21-16(11-23-18)12-6-2-1-3-7-12;1-2-3-4-5/h1-9,11,22H;2-5H2,1H3/b17-14+;