1-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C24H29N3O2S MolecularWeight: 423.57096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)CSC2=NN=CN2C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)CSC2=NN=CN2C3=CC=CC=C3

InChI

InChI=1S/C24H29N3O2S/c1-23(2,3)18-12-16(13-19(21(18)29)24(4,5)6)20(28)14-30-22-26-25-15-27(22)17-10-8-7-9-11-17/h7-13,15,29H,14H2,1-6H3