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

Systemtic Name: ethyl 2,4-dimethyl-5-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-oxopropyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]propanoyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)SC2=NN=C(N2C)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)SC2=NN=C(N2C)C3=CC=CC=C3)C

InChI

InChI=1S/C21H24N4O3S/c1-6-28-20(27)16-12(2)17(22-13(16)3)18(26)14(4)29-21-24-23-19(25(21)5)15-10-8-7-9-11-15/h7-11,14,22H,6H2,1-5H3