3,3-dimethyl-1-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]butan-2-one

Systemtic Name: 3,3-dimethyl-1-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]butan-2-one Openeye Name: 3,3-dimethyl-1-[(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]butan-2-one CAS Name: 3,3-dimethyl-1-[[5-(4-morpholinyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-2-butanone IUPAC Name: 3,3-dimethyl-1-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]butan-2-one Traditional Name: 3,3-dimethyl-1-[(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)thio]butan-2-one Formula: C18H24N4O2S MolecularWeight: 360.47376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NN=C(N1C2=CC=CC=C2)N3CCOCC3

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NN=C(N1C2=CC=CC=C2)N3CCOCC3

InChI

InChI=1S/C18H24N4O2S/c1-18(2,3)15(23)13-25-17-20-19-16(21-9-11-24-12-10-21)22(17)14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3