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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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