(NZ)-4-chloranyl-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide

Systemtic Name: (NZ)-4-chloranyl-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide Openeye Name: (NZ)-4-chloro-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide CAS Name: (NZ)-4-chloro-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide IUPAC Name: (NZ)-4-chloro-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide Traditional Name: (NZ)-4-chloro-N-(6-nitro-3-propargyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide Formula: C16H10ClN3O4S2 MolecularWeight: 407.8513

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=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C16H10ClN3O4S2/c1-2-9-19-14-8-5-12(20(21)22)10-15(14)25-16(19)18-26(23,24)13-6-3-11(17)4-7-13/h1,3-8,10H,9H2/b18-16-