2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2-chlorophenyl)-2-cyano-ethanolate; dibutylazanium

Systemtic Name: 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2-chlorophenyl)-2-cyano-ethanolate; dibutylazanium Openeye Name: 2-(4-tert-butylthiazol-2-yl)-1-(2-chlorophenyl)-2-cyano-ethanolate; dibutylammonium CAS Name: 2-(4-tert-butyl-2-thiazolyl)-1-(2-chlorophenyl)-2-cyanoethanolate; dibutylammonium IUPAC Name: 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2-chlorophenyl)-2-cyanoethanolate; dibutylazanium Traditional Name: 2-(4-tert-butylthiazol-2-yl)-1-(2-chlorophenyl)-2-cyano-ethanolate; dibutylammonium Formula: C24H36ClN3OS MolecularWeight: 450.08014

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH2+]CCCC.CC(C)(C)C1=CSC(=N1)C(C#N)C(C2=CC=CC=C2Cl)[O-]

Isomeric SMILES

CCCC[NH2+]CCCC.CC(C)(C)C1=CSC(=N1)C(C#N)C(C2=CC=CC=C2Cl)[O-]

InChI

InChI=1S/C16H16ClN2OS.C8H19N/c1-16(2,3)13-9-21-15(19-13)11(8-18)14(20)10-6-4-5-7-12(10)17;1-3-5-7-9-8-6-4-2/h4-7,9,11,14H,1-3H3;9H,3-8H2,1-2H3/q-1;/p+1