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

Systemtic Name: N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-phenoxy-benzamide Openeye Name: N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-phenoxy-benzamide CAS Name: N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-phenoxybenzamide IUPAC Name: N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-phenoxybenzamide Traditional Name: N-(6-nitro-3-propargyl-1,3-benzothiazol-2-ylidene)-3-phenoxy-benzamide Formula: C23H15N3O4S MolecularWeight: 429.4479

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

C#CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C23H15N3O4S/c1-2-13-25-20-12-11-17(26(28)29)15-21(20)31-23(25)24-22(27)16-7-6-10-19(14-16)30-18-8-4-3-5-9-18/h1,3-12,14-15H,13H2