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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SCC(=O)C2=C(C(=C(N2)C)C(=O)OC)C

Isomeric SMILES

CCCC1=NC(=NN1)SCC(=O)C2=C(C(=C(N2)C)C(=O)OC)C

InChI

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