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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CSC2=NC=NN2)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CSC2=NC=NN2)C

InChI

InChI=1S/C13H16N4O3S/c1-4-20-12(19)11-7(2)10(8(3)16-11)9(18)5-21-13-14-6-15-17-13/h6,16H,4-5H2,1-3H3,(H,14,15,17)