2-bromanyl-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide

Systemtic Name: 2-bromanyl-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 2-bromo-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 2-bromo-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 2-bromo-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 2-bromo-N-(6-nitro-3-propargyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C17H10BrN3O3S MolecularWeight: 416.2486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=CC=C3Br

Isomeric SMILES

C#CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C17H10BrN3O3S/c1-2-9-20-14-8-7-11(21(23)24)10-15(14)25-17(20)19-16(22)12-5-3-4-6-13(12)18/h1,3-8,10H,9H2