N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-phenoxy-benzamide

Systemtic Name: N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-phenoxy-benzamide Openeye Name: N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-phenoxy-benzamide CAS Name: N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide IUPAC Name: N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide Traditional Name: N-(6-nitro-3-propargyl-1,3-benzothiazol-2-ylidene)-4-phenoxy-benzamide Formula: C23H15N3O4S MolecularWeight: 429.4479

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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