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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)N3CCOCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)N3CCOCC3)C4=CC=CC=C4

InChI

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