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

Systemtic Name: 1-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-[(4-phenyl-5-phenylazanyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 2-[(5-anilino-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,5-ditert-butyl-4-hydroxy-phenyl)ethanone CAS Name: 2-[(5-anilino-4-phenyl-1,2,4-triazol-3-yl)thio]-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone IUPAC Name: 2-[(5-anilino-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone Traditional Name: 2-[(5-anilino-4-phenyl-1,2,4-triazol-3-yl)thio]-1-(3,5-ditert-butyl-4-hydroxy-phenyl)ethanone Formula: C30H34N4O2S MolecularWeight: 514.68156

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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=C(N2C3=CC=CC=C3)NC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)NC4=CC=CC=C4

InChI

InChI=1S/C30H34N4O2S/c1-29(2,3)23-17-20(18-24(26(23)36)30(4,5)6)25(35)19-37-28-33-32-27(31-21-13-9-7-10-14-21)34(28)22-15-11-8-12-16-22/h7-18,36H,19H2,1-6H3,(H,31,32)