2-(1,3-benzothiazol-2-ylsulfanyl)-1-[1-(3-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[1-(3-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[1-(3-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone CAS Name: 2-(1,3-benzothiazol-2-ylthio)-1-[1-(3-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]ethanone IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-1-[1-(3-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone Formula: C21H17FN2OS2 MolecularWeight: 396.500883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=CC=C2)F)C)C(=O)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC=C2)F)C)C(=O)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H17FN2OS2/c1-13-10-17(14(2)24(13)16-7-5-6-15(22)11-16)19(25)12-26-21-23-18-8-3-4-9-20(18)27-21/h3-11H,12H2,1-2H3