(2E)-3-(2-chlorophenyl)-3-oxidanylidene-2-(4-phenyl-3H-1,3-thiazol-2-ylidene)propanenitrile; dihexylazanium

Systemtic Name: (2E)-3-(2-chlorophenyl)-3-oxidanylidene-2-(4-phenyl-3H-1,3-thiazol-2-ylidene)propanenitrile; dihexylazanium Openeye Name: (2E)-3-(2-chlorophenyl)-3-oxo-2-(4-phenyl-3H-thiazol-2-ylidene)propanenitrile; dihexylammonium CAS Name: (2E)-3-(2-chlorophenyl)-3-oxo-2-(4-phenyl-3H-thiazol-2-ylidene)propanenitrile; dihexylammonium IUPAC Name: (2E)-3-(2-chlorophenyl)-3-oxo-2-(4-phenyl-3H-1,3-thiazol-2-ylidene)propanenitrile; dihexylazanium Traditional Name: (2E)-3-(2-chlorophenyl)-3-keto-2-(4-phenyl-4-thiazolin-2-ylidene)propionitrile; dihexylammonium Formula: C30H39ClN3OS+ MolecularWeight: 525.16816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[NH2+]CCCCCC.C1=CC=C(C=C1)C2=CSC(=C(C#N)C(=O)C3=CC=CC=C3Cl)N2

Isomeric SMILES

CCCCCC[NH2+]CCCCCC.C1=CC=C(C=C1)C2=CS/C(=C(\C#N)/C(=O)C3=CC=CC=C3Cl)/N2

InChI

InChI=1S/C18H11ClN2OS.C12H27N/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;1-3-5-7-9-11-13-12-10-8-6-4-2/h1-9,11,21H;13H,3-12H2,1-2H3/p+1/b18-14+;