1-[1-[2-(4-chlorophenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone

Systemtic Name: 1-[1-[2-(4-chlorophenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone Openeye Name: 1-[1-[2-(4-chlorophenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone CAS Name: 1-[1-[2-(4-chlorophenyl)ethyl]-2,5-dimethyl-3-pyrrolyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]ethanone IUPAC Name: 1-[1-[2-(4-chlorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone Traditional Name: 1-[1-[2-(4-chlorophenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]ethanone Formula: C23H20ClN3O3S2 MolecularWeight: 486.0062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=C(C=C2)Cl)C)C(=O)CSC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=C(C=C2)Cl)C)C(=O)CSC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H20ClN3O3S2/c1-14-11-19(15(2)26(14)10-9-16-3-5-17(24)6-4-16)21(28)13-31-23-25-20-8-7-18(27(29)30)12-22(20)32-23/h3-8,11-12H,9-10,13H2,1-2H3