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

Systemtic Name: ethyl 2,5-dimethyl-4-[2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[2-[(4-allyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-4-[1-oxo-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)thio]ethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-4-[2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1H-pyrrole-3-carboxylate Traditional Name: 4-[2-[(4-allyl-1,2,4-triazol-3-yl)thio]acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C16H20N4O3S MolecularWeight: 348.42

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)CSC2=NN=CN2CC=C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)CSC2=NN=CN2CC=C)C)C

InChI

InChI=1S/C16H20N4O3S/c1-5-7-20-9-17-19-16(20)24-8-12(21)13-10(3)18-11(4)14(13)15(22)23-6-2/h5,9,18H,1,6-8H2,2-4H3