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

Systemtic Name: 2-[[4-(3,4-dimethylphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-ethanone Openeye Name: 2-[[4-(3,4-dimethylphenyl)-5-(2-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholino-ethanone CAS Name: 2-[[4-(3,4-dimethylphenyl)-5-(2-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[[4-(3,4-dimethylphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone Traditional Name: 2-[[4-(3,4-dimethylphenyl)-5-(2-pyridyl)-1,2,4-triazol-3-yl]thio]-1-morpholino-ethanone Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=C2SCC(=O)N3CCOCC3)C4=CC=CC=N4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=C2SCC(=O)N3CCOCC3)C4=CC=CC=N4)C

InChI

InChI=1S/C21H23N5O2S/c1-15-6-7-17(13-16(15)2)26-20(18-5-3-4-8-22-18)23-24-21(26)29-14-19(27)25-9-11-28-12-10-25/h3-8,13H,9-12,14H2,1-2H3