N-(6-bromanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-chloranyl-5-nitro-benzamide

Systemtic Name: N-(6-bromanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-chloranyl-5-nitro-benzamide Openeye Name: N-(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-chloro-5-nitro-benzamide CAS Name: N-(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-chloro-5-nitrobenzamide IUPAC Name: N-(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-chloro-5-nitrobenzamide Traditional Name: N-(6-bromo-3-propargyl-1,3-benzothiazol-2-ylidene)-2-chloro-5-nitro-benzamide Formula: C17H9BrClN3O3S MolecularWeight: 450.69366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H9BrClN3O3S/c1-2-7-21-14-6-3-10(18)8-15(14)26-17(21)20-16(23)12-9-11(22(24)25)4-5-13(12)19/h1,3-6,8-9H,7H2