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

Systemtic Name: ethyl 2,4-dimethyl-5-[2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[1-oxo-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]propyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)SC2=NN=C(N2CC=C)C3=CC=NC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)SC2=NN=C(N2CC=C)C3=CC=NC=C3)C

InChI

InChI=1S/C22H25N5O3S/c1-6-12-27-20(16-8-10-23-11-9-16)25-26-22(27)31-15(5)19(28)18-13(3)17(14(4)24-18)21(29)30-7-2/h6,8-11,15,24H,1,7,12H2,2-5H3