2-[(4-nitrophenyl)methylsulfanyl]-1,3-benzothiazole hydrobromide

Systemtic Name: 2-[(4-nitrophenyl)methylsulfanyl]-1,3-benzothiazole hydrobromide Openeye Name: 2-[(4-nitrophenyl)methylsulfanyl]-1,3-benzothiazole hydrobromide CAS Name: 2-[(4-nitrophenyl)methylthio]-1,3-benzothiazole hydrobromide IUPAC Name: 2-[(4-nitrophenyl)methylsulfanyl]-1,3-benzothiazole hydrobromide Traditional Name: 2-[(4-nitrobenzyl)thio]-1,3-benzothiazole hydrobromide Formula: C14H11BrN2O2S2 MolecularWeight: 383.28334

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC3=CC=C(C=C3)[N+](=O)[O-].Br

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC3=CC=C(C=C3)[N+](=O)[O-].Br

InChI

InChI=1S/C14H10N2O2S2.BrH/c17-16(18)11-7-5-10(6-8-11)9-19-14-15-12-3-1-2-4-13(12)20-14;/h1-8H,9H2;1H