3-hexyl-4-(4-nitrophenyl)-N-phenyl-1,3-thiazol-2-imine hydrobromide

Systemtic Name: 3-hexyl-4-(4-nitrophenyl)-N-phenyl-1,3-thiazol-2-imine hydrobromide Openeye Name: 3-hexyl-4-(4-nitrophenyl)-N-phenyl-thiazol-2-imine hydrobromide CAS Name: 3-hexyl-4-(4-nitrophenyl)-N-phenyl-2-thiazolimine hydrobromide IUPAC Name: 3-hexyl-4-(4-nitrophenyl)-N-phenyl-1,3-thiazol-2-imine hydrobromide Traditional Name: [3-hexyl-4-(4-nitrophenyl)-4-thiazolin-2-ylidene]-phenyl-amine hydrobromide Formula: C21H24BrN3O2S MolecularWeight: 462.40316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=CSC1=NC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-].Br

Isomeric SMILES

CCCCCCN1C(=CSC1=NC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-].Br

InChI

InChI=1S/C21H23N3O2S.BrH/c1-2-3-4-8-15-23-20(17-11-13-19(14-12-17)24(25)26)16-27-21(23)22-18-9-6-5-7-10-18;/h5-7,9-14,16H,2-4,8,15H2,1H3;1H