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

Systemtic Name: ethyl 2,5-dimethyl-4-[2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-4-[2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1H-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-4-[1-oxo-2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]ethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-4-[2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-4-[2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]acetyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C16H22N4O3S MolecularWeight: 350.43588

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SCC(=O)C2=C(NC(=C2C(=O)OCC)C)C

Isomeric SMILES

CCCC1=NC(=NN1)SCC(=O)C2=C(NC(=C2C(=O)OCC)C)C

InChI

InChI=1S/C16H22N4O3S/c1-5-7-12-18-16(20-19-12)24-8-11(21)13-9(3)17-10(4)14(13)15(22)23-6-2/h17H,5-8H2,1-4H3,(H,18,19,20)