ethyl 2,4-dimethyl-5-[2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-[2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[1-oxo-2-[(4-pentyl-1,2,4-triazol-3-yl)thio]ethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[(4-amyl-1,2,4-triazol-3-yl)thio]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C18H26N4O3S MolecularWeight: 378.48904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O3S/c1-5-7-8-9-22-11-19-21-18(22)26-10-14(23)16-12(3)15(13(4)20-16)17(24)25-6-2/h11,20H,5-10H2,1-4H3