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

Systemtic Name: 1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[1-(phenylmethyl)imidazol-2-yl]sulfanyl-ethanone Openeye Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(1-benzylimidazol-2-yl)sulfanyl-ethanone CAS Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[[1-(phenylmethyl)-2-imidazolyl]thio]ethanone IUPAC Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(1-benzylimidazol-2-yl)sulfanylethanone Traditional Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(1-benzylimidazol-2-yl)thio]ethanone Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NC=CN2CC3=CC=CC=C3

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NC=CN2CC3=CC=CC=C3

InChI

InChI=1S/C20H21N3O2S/c1-13-18(15(3)24)14(2)22-19(13)17(25)12-26-20-21-9-10-23(20)11-16-7-5-4-6-8-16/h4-10,22H,11-12H2,1-3H3