2-(4-chlorophenyl)sulfanyl-1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)ethanone

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)ethanone Openeye Name: 2-(4-chlorophenyl)sulfanyl-1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)ethanone CAS Name: 2-[(4-chlorophenyl)thio]-1-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)ethanone IUPAC Name: 2-(4-chlorophenyl)sulfanyl-1-(2,5-dimethyl-1-phenethylpyrrol-3-yl)ethanone Traditional Name: 2-[(4-chlorophenyl)thio]-1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)ethanone Formula: C22H22ClNOS MolecularWeight: 383.93418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H22ClNOS/c1-16-14-21(22(25)15-26-20-10-8-19(23)9-11-20)17(2)24(16)13-12-18-6-4-3-5-7-18/h3-11,14H,12-13,15H2,1-2H3