1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(1-propylimidazol-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(1-propylimidazol-2-yl)sulfanyl-ethanone Openeye Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(1-propylimidazol-2-yl)sulfanyl-ethanone CAS Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(1-propyl-2-imidazolyl)thio]ethanone IUPAC Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(1-propylimidazol-2-yl)sulfanylethanone Traditional Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(1-propylimidazol-2-yl)thio]ethanone Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=CN=C1SCC(=O)C2=C(C(=C(N2)C)C(=O)C)C

Isomeric SMILES

CCCN1C=CN=C1SCC(=O)C2=C(C(=C(N2)C)C(=O)C)C

InChI

InChI=1S/C16H21N3O2S/c1-5-7-19-8-6-17-16(19)22-9-13(21)15-10(2)14(12(4)20)11(3)18-15/h6,8,18H,5,7,9H2,1-4H3