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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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