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

Systemtic Name: 2-[[5-(2-ethyl-5-methyl-pyrazol-3-yl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[5-(2-ethyl-5-methyl-pyrazol-3-yl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[5-(2-ethyl-5-methyl-3-pyrazolyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[5-(2-ethyl-5-methylpyrazol-3-yl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[5-(2-ethyl-5-methyl-pyrazol-3-yl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C20H25N5O2S MolecularWeight: 399.5098

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=N1)C)C2=NN=C(N2CCCOC)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=CC(=N1)C)C2=NN=C(N2CCCOC)SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H25N5O2S/c1-4-25-17(13-15(2)23-25)19-21-22-20(24(19)11-8-12-27-3)28-14-18(26)16-9-6-5-7-10-16/h5-7,9-10,13H,4,8,11-12,14H2,1-3H3