2-[[4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[[4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-ethanone Openeye Name: 2-[[4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholino-ethanone CAS Name: 2-[[4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]thio]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[[4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone Traditional Name: 2-[[4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]thio]-1-morpholino-ethanone Formula: C16H20N4O2S MolecularWeight: 332.4206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C=NN=C2SCC(=O)N3CCOCC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C=NN=C2SCC(=O)N3CCOCC3)C

InChI

InChI=1S/C16H20N4O2S/c1-12-3-4-14(13(2)9-12)20-11-17-18-16(20)23-10-15(21)19-5-7-22-8-6-19/h3-4,9,11H,5-8,10H2,1-2H3