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

Systemtic Name: ethyl 4-[2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[2-[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[2-[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C15H20N4O3S MolecularWeight: 336.4093

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1)SCC(=O)C2=C(NC(=C2C(=O)OCC)C)C

Isomeric SMILES

CCC1=NC(=NN1)SCC(=O)C2=C(NC(=C2C(=O)OCC)C)C

InChI

InChI=1S/C15H20N4O3S/c1-5-11-17-15(19-18-11)23-7-10(20)12-8(3)16-9(4)13(12)14(21)22-6-2/h16H,5-7H2,1-4H3,(H,17,18,19)