1-(2-oxidanyl-5-propan-2-yl-phenyl)-3-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one

Systemtic Name: 1-(2-oxidanyl-5-propan-2-yl-phenyl)-3-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: 1-(2-hydroxy-5-isopropyl-phenyl)-3-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one CAS Name: 1-(2-hydroxy-5-propan-2-ylphenyl)-3-[(4-phenyl-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: 1-(2-hydroxy-5-propan-2-ylphenyl)-3-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: 1-(2-hydroxy-5-isopropyl-phenyl)-3-[(4-phenyl-1,2,4-triazol-3-yl)thio]propan-1-one Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C=C1)O)C(=O)CCSC2=NN=CN2C3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC(=C(C=C1)O)C(=O)CCSC2=NN=CN2C3=CC=CC=C3

InChI

InChI=1S/C20H21N3O2S/c1-14(2)15-8-9-18(24)17(12-15)19(25)10-11-26-20-22-21-13-23(20)16-6-4-3-5-7-16/h3-9,12-14,24H,10-11H2,1-2H3