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

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-1-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]ethanone Openeye Name: 1-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-(4-chlorophenyl)sulfanyl-ethanone CAS Name: 2-[(4-chlorophenyl)thio]-1-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]ethanone IUPAC Name: 1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-(4-chlorophenyl)sulfanylethanone Traditional Name: 1-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-[(4-chlorophenyl)thio]ethanone Formula: C21H20ClNOS MolecularWeight: 369.9076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H20ClNOS/c1-15-12-20(16(2)23(15)13-17-6-4-3-5-7-17)21(24)14-25-19-10-8-18(22)9-11-19/h3-12H,13-14H2,1-2H3