2-[[4-(2-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone

Systemtic Name: 2-[[4-(2-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[5-morpholino-4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[4-(2-methylphenyl)-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[4-(2-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[5-morpholino-4-(o-tolyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCC(=O)C3=CC=CC=C3)N4CCOCC4

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCC(=O)C3=CC=CC=C3)N4CCOCC4

InChI

InChI=1S/C21H22N4O2S/c1-16-7-5-6-10-18(16)25-20(24-11-13-27-14-12-24)22-23-21(25)28-15-19(26)17-8-3-2-4-9-17/h2-10H,11-15H2,1H3