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

Systemtic Name: 2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methylmorpholin-4-yl)ethanone Openeye Name: 2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methylmorpholin-4-yl)ethanone CAS Name: 2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)thio]-1-(2-methyl-4-morpholinyl)ethanone IUPAC Name: 2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methylmorpholin-4-yl)ethanone Traditional Name: 2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)thio]-1-(2-methylmorpholino)ethanone Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCO1)C(=O)CSC2=NN(C(=N2)C3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1CN(CCO1)C(=O)CSC2=NN(C(=N2)C3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C21H28N4O2S/c1-16-14-24(12-13-27-16)19(26)15-28-21-22-20(17-8-4-2-5-9-17)25(23-21)18-10-6-3-7-11-18/h3,6-7,10-11,16-17H,2,4-5,8-9,12-15H2,1H3