2-[(4-chlorophenyl)methylsulfanyl]-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)propan-1-one

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)propan-1-one Openeye Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(4-chlorophenyl)methylsulfanyl]propan-1-one CAS Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(4-chlorophenyl)methylthio]-1-propanone IUPAC Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(4-chlorophenyl)methylsulfanyl]propan-1-one Traditional Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(4-chlorobenzyl)thio]propan-1-one Formula: C18H20ClNO2S MolecularWeight: 349.8749

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)C(C)SCC2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)C(C)SCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H20ClNO2S/c1-10-16(12(3)21)11(2)20-17(10)18(22)13(4)23-9-14-5-7-15(19)8-6-14/h5-8,13,20H,9H2,1-4H3