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

Systemtic Name: (E)-1-(2-chlorophenyl)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenolate; dihexylazanium Openeye Name: (E)-1-(2-chlorophenyl)-2-cyano-2-(4-phenylthiazol-2-yl)ethenolate; dihexylammonium CAS Name: (E)-1-(2-chlorophenyl)-2-cyano-2-(4-phenyl-2-thiazolyl)ethenolate; dihexylammonium IUPAC Name: (E)-1-(2-chlorophenyl)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenolate; dihexylazanium Traditional Name: (E)-1-(2-chlorophenyl)-2-cyano-2-(4-phenylthiazol-2-yl)ethenolate; dihexylammonium Formula: C30H38ClN3OS MolecularWeight: 524.16022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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/h1-9,11,22H;13H,3-12H2,1-2H3/b17-14+;