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

Systemtic Name: 2-[[4-(2-ethylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-yl-ethanone Openeye Name: 2-[[4-(2-ethylphenyl)-5-morpholino-1,2,4-triazol-3-yl]sulfanyl]-1-(2-thienyl)ethanone CAS Name: 2-[[4-(2-ethylphenyl)-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]-1-thiophen-2-ylethanone IUPAC Name: 2-[[4-(2-ethylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-ylethanone Traditional Name: 2-[[4-(2-ethylphenyl)-5-morpholino-1,2,4-triazol-3-yl]thio]-1-(2-thienyl)ethanone Formula: C20H22N4O2S2 MolecularWeight: 414.54428

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C(=NN=C2SCC(=O)C3=CC=CS3)N4CCOCC4

Isomeric SMILES

CCC1=CC=CC=C1N2C(=NN=C2SCC(=O)C3=CC=CS3)N4CCOCC4

InChI

InChI=1S/C20H22N4O2S2/c1-2-15-6-3-4-7-16(15)24-19(23-9-11-26-12-10-23)21-22-20(24)28-14-17(25)18-8-5-13-27-18/h3-8,13H,2,9-12,14H2,1H3