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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)C2=C(C(=C(N2)C)C(=O)OC)C)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)C2=C(C(=C(N2)C)C(=O)OC)C)C3=CC=CC=C3

InChI

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