N-[6-bromanyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-chloranyl-5-nitro-benzamide

Systemtic Name: N-[6-bromanyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-chloranyl-5-nitro-benzamide Openeye Name: N-[6-bromo-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-chloro-5-nitro-benzamide CAS Name: N-[6-bromo-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-2-chloro-5-nitrobenzamide IUPAC Name: N-[6-bromo-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-chloro-5-nitrobenzamide Traditional Name: N-[6-bromo-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-2-chloro-5-nitro-benzamide Formula: C17H13BrClN3O3S2 MolecularWeight: 486.79042

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Descriptors Computed from Structure

Canonical SMILES:

CSCCN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CSCCN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H13BrClN3O3S2/c1-26-7-6-21-14-5-2-10(18)8-15(14)27-17(21)20-16(23)12-9-11(22(24)25)3-4-13(12)19/h2-5,8-9H,6-7H2,1H3