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

Systemtic Name: 2,5-bis(chloranyl)-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 2,5-dichloro-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 2,5-dichloro-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 2,5-dichloro-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 2,5-dichloro-N-(6-nitro-3-propargyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C17H9Cl2N3O3S MolecularWeight: 406.24266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H9Cl2N3O3S/c1-2-7-21-14-6-4-11(22(24)25)9-15(14)26-17(21)20-16(23)12-8-10(18)3-5-13(12)19/h1,3-6,8-9H,7H2