methyl 2,4-dimethyl-5-[2-(1H-1,2,4-triazol-5-ylsulfanyl)propanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2,4-dimethyl-5-[2-(1H-1,2,4-triazol-5-ylsulfanyl)propanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-[2-(1H-1,2,4-triazol-5-ylsulfanyl)propanoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[1-oxo-2-(1H-1,2,4-triazol-5-ylthio)propyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[2-(1H-1,2,4-triazol-5-ylsulfanyl)propanoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[2-(1H-1,2,4-triazol-5-ylthio)propanoyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C13H16N4O3S MolecularWeight: 308.35614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)SC2=NC=NN2

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)SC2=NC=NN2

InChI

InChI=1S/C13H16N4O3S/c1-6-9(12(19)20-4)7(2)16-10(6)11(18)8(3)21-13-14-5-15-17-13/h5,8,16H,1-4H3,(H,14,15,17)