3,5-dinitro-N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide

Systemtic Name: 3,5-dinitro-N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 3,5-dinitro-N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 3,5-dinitro-N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 3,5-dinitro-N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 3,5-dinitro-N-(3-propargyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C17H10N4O5S MolecularWeight: 382.3501

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=CC=CC=C2SC1=NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C#CCN1C2=CC=CC=C2SC1=NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H10N4O5S/c1-2-7-19-14-5-3-4-6-15(14)27-17(19)18-16(22)11-8-12(20(23)24)10-13(9-11)21(25)26/h1,3-6,8-10H,7H2