2-(2-azanylidene-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-1-(4-nitrophenyl)ethanone hydrobromide

Systemtic Name: 2-(2-azanylidene-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-1-(4-nitrophenyl)ethanone hydrobromide Openeye Name: 2-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-1-(4-nitrophenyl)ethanone hydrobromide CAS Name: 2-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-1-(4-nitrophenyl)ethanone hydrobromide IUPAC Name: 2-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-1-(4-nitrophenyl)ethanone hydrobromide Traditional Name: 2-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-1-(4-nitrophenyl)ethanone hydrobromide Formula: C15H16BrN3O3S MolecularWeight: 398.27484

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)N(C(=N)S2)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-].Br

Isomeric SMILES

C1CCC2=C(C1)N(C(=N)S2)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-].Br

InChI

InChI=1S/C15H15N3O3S.BrH/c16-15-17(12-3-1-2-4-14(12)22-15)9-13(19)10-5-7-11(8-6-10)18(20)21;/h5-8,16H,1-4,9H2;1H