ethanol; 2-(4-methyl-2-phenylazanyl-1,3-thiazol-3-ium-3-yl)-1-(4-nitrophenyl)ethanol; bromide

Systemtic Name: ethanol; 2-(4-methyl-2-phenylazanyl-1,3-thiazol-3-ium-3-yl)-1-(4-nitrophenyl)ethanol; bromide Openeye Name: 2-(2-anilino-4-methyl-thiazol-3-ium-3-yl)-1-(4-nitrophenyl)ethanol; ethanol; bromide CAS Name: 2-(2-anilino-4-methyl-3-thiazol-3-iumyl)-1-(4-nitrophenyl)ethanol; ethanol; bromide IUPAC Name: 2-(2-anilino-4-methyl-1,3-thiazol-3-ium-3-yl)-1-(4-nitrophenyl)ethanol; ethanol; bromide Traditional Name: 2-(2-anilino-4-methyl-thiazol-3-ium-3-yl)-1-(4-nitrophenyl)ethanol; ethanol; bromide Formula: C20H24BrN3O4S MolecularWeight: 482.39126

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Descriptors Computed from Structure

Canonical SMILES:

CCO.CC1=CSC(=[N+]1CC(C2=CC=C(C=C2)[N+](=O)[O-])O)NC3=CC=CC=C3.[Br-]

Isomeric SMILES

CCO.CC1=CSC(=[N+]1CC(C2=CC=C(C=C2)[N+](=O)[O-])O)NC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C18H17N3O3S.C2H6O.BrH/c1-13-12-25-18(19-15-5-3-2-4-6-15)20(13)11-17(22)14-7-9-16(10-8-14)21(23)24;1-2-3;/h2-10,12,17,22H,11H2,1H3;3H,2H2,1H3;1H