2-(1,3-benzoxazol-2-ylsulfanyl)-1-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone CAS Name: 2-(1,3-benzoxazol-2-ylthio)-1-[1-(4-chlorophenyl)-2,5-dimethyl-3-pyrrolyl]ethanone IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-1-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone Formula: C21H17ClN2O2S MolecularWeight: 396.88988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)C(=O)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)C(=O)CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H17ClN2O2S/c1-13-11-17(14(2)24(13)16-9-7-15(22)8-10-16)19(25)12-27-21-23-18-5-3-4-6-20(18)26-21/h3-11H,12H2,1-2H3