(NZ)-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide

Systemtic Name: (NZ)-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide Openeye Name: (NZ)-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide CAS Name: (NZ)-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide IUPAC Name: (NZ)-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide Traditional Name: (NZ)-N-(6-nitro-3-propargyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide Formula: C16H11N3O4S2 MolecularWeight: 373.40624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C#CCN\1C2=C(C=C(C=C2)[N+](=O)[O-])S/C1=N\S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H11N3O4S2/c1-2-10-18-14-9-8-12(19(20)21)11-15(14)24-16(18)17-25(22,23)13-6-4-3-5-7-13/h1,3-9,11H,10H2/b17-16-