N-(4-bromanyl-3-ethyl-1,3-benzothiazol-2-ylidene)-2-nitro-benzamide

Systemtic Name: N-(4-bromanyl-3-ethyl-1,3-benzothiazol-2-ylidene)-2-nitro-benzamide Openeye Name: N-(4-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-2-nitro-benzamide CAS Name: N-(4-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide IUPAC Name: N-(4-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide Traditional Name: N-(4-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-2-nitro-benzamide Formula: C16H12BrN3O3S MolecularWeight: 406.25378

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC=C2Br)SC1=NC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCN1C2=C(C=CC=C2Br)SC1=NC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C16H12BrN3O3S/c1-2-19-14-11(17)7-5-9-13(14)24-16(19)18-15(21)10-6-3-4-8-12(10)20(22)23/h3-9H,2H2,1H3