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

Systemtic Name: 1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(4-pentyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(4-amyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C17H24N4O2S MolecularWeight: 348.46306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=NN=C1SCC(=O)C2=C(C(=C(N2)C)C(=O)C)C

Isomeric SMILES

CCCCCN1C=NN=C1SCC(=O)C2=C(C(=C(N2)C)C(=O)C)C

InChI

InChI=1S/C17H24N4O2S/c1-5-6-7-8-21-10-18-20-17(21)24-9-14(23)16-11(2)15(13(4)22)12(3)19-16/h10,19H,5-9H2,1-4H3