1-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-[[4-prop-2-enyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-[[4-prop-2-enyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 2-[[4-allyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3,5-ditert-butyl-4-hydroxy-phenyl)ethanone CAS Name: 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[[4-prop-2-enyl-5-(8-quinolinyloxymethyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[[4-prop-2-enyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 2-[[4-allyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-yl]thio]-1-(3,5-ditert-butyl-4-hydroxy-phenyl)ethanone Formula: C31H36N4O3S MolecularWeight: 544.70754

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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(N2CC=C)COC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)CSC2=NN=C(N2CC=C)COC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C31H36N4O3S/c1-8-15-35-26(18-38-25-13-9-11-20-12-10-14-32-27(20)25)33-34-29(35)39-19-24(36)21-16-22(30(2,3)4)28(37)23(17-21)31(5,6)7/h8-14,16-17,37H,1,15,18-19H2,2-7H3