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

Systemtic Name: methyl 2,4-dimethyl-5-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[1-oxo-2-(1H-1,2,4-triazol-5-ylthio)ethyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[2-(1H-1,2,4-triazol-5-ylthio)acetyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C12H14N4O3S MolecularWeight: 294.32956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)CSC2=NC=NN2

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)CSC2=NC=NN2

InChI

InChI=1S/C12H14N4O3S/c1-6-9(11(18)19-3)7(2)15-10(6)8(17)4-20-12-13-5-14-16-12/h5,15H,4H2,1-3H3,(H,13,14,16)