(3-chloranyl-6-nitro-1-benzothiophen-2-yl)-[2-(trifluoromethyl)phenothiazin-10-yl]methanone

Systemtic Name: (3-chloranyl-6-nitro-1-benzothiophen-2-yl)-[2-(trifluoromethyl)phenothiazin-10-yl]methanone Openeye Name: (3-chloro-6-nitro-benzothiophen-2-yl)-[2-(trifluoromethyl)phenothiazin-10-yl]methanone CAS Name: (3-chloro-6-nitro-1-benzothiophen-2-yl)-[2-(trifluoromethyl)-10-phenothiazinyl]methanone IUPAC Name: (3-chloro-6-nitro-1-benzothiophen-2-yl)-[2-(trifluoromethyl)phenothiazin-10-yl]methanone Traditional Name: (3-chloro-6-nitro-benzothiophen-2-yl)-[2-(trifluoromethyl)phenothiazin-10-yl]methanone Formula: C22H10ClF3N2O3S2 MolecularWeight: 506.90461

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=C(S2)C=CC(=C3)C(F)(F)F)C(=O)C4=C(C5=C(S4)C=C(C=C5)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=C(S2)C=CC(=C3)C(F)(F)F)C(=O)C4=C(C5=C(S4)C=C(C=C5)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H10ClF3N2O3S2/c23-19-13-7-6-12(28(30)31)10-18(13)33-20(19)21(29)27-14-3-1-2-4-16(14)32-17-8-5-11(9-15(17)27)22(24,25)26/h1-10H