ethyl 2-[[5-(5-ethyl-2-methyl-pyrazol-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate

Systemtic Name: ethyl 2-[[5-(5-ethyl-2-methyl-pyrazol-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: ethyl 2-[[5-(5-ethyl-2-methyl-pyrazol-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 2-[[5-(5-ethyl-2-methyl-3-pyrazolyl)-4-phenyl-1,2,4-triazol-3-yl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-[[5-(5-ethyl-2-methylpyrazol-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 2-[[5-(5-ethyl-2-methyl-pyrazol-3-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]propionic acid ethyl ester Formula: C19H23N5O2S MolecularWeight: 385.48322

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1)C2=NN=C(N2C3=CC=CC=C3)SC(C)C(=O)OCC)C

Isomeric SMILES

CCC1=NN(C(=C1)C2=NN=C(N2C3=CC=CC=C3)SC(C)C(=O)OCC)C

InChI

InChI=1S/C19H23N5O2S/c1-5-14-12-16(23(4)22-14)17-20-21-19(27-13(3)18(25)26-6-2)24(17)15-10-8-7-9-11-15/h7-13H,5-6H2,1-4H3