2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethanone

Systemtic Name: 2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethanone Openeye Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethanone CAS Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-1-(2,5-dimethyl-1-phenyl-3-pyrrolyl)ethanone IUPAC Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone Traditional Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethanone Formula: C21H17ClN2OS2 MolecularWeight: 412.95548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)CSC3=NC4=C(S3)C=CC(=C4)Cl

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)CSC3=NC4=C(S3)C=CC(=C4)Cl

InChI

InChI=1S/C21H17ClN2OS2/c1-13-10-17(14(2)24(13)16-6-4-3-5-7-16)19(25)12-26-21-23-18-11-15(22)8-9-20(18)27-21/h3-11H,12H2,1-2H3