2,6-ditert-butyl-4-[3-heptyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]phenol

Systemtic Name: 2,6-ditert-butyl-4-[3-heptyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]phenol Openeye Name: 4-(3-benzylsulfanyl-5-heptyl-1,2,4-triazol-4-yl)-2,6-ditert-butyl-phenol CAS Name: 2,6-ditert-butyl-4-[3-heptyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]phenol IUPAC Name: 4-(3-benzylsulfanyl-5-heptyl-1,2,4-triazol-4-yl)-2,6-ditert-butylphenol Traditional Name: 4-[3-(benzylthio)-5-heptyl-1,2,4-triazol-4-yl]-2,6-ditert-butyl-phenol Formula: C30H43N3OS MolecularWeight: 493.74692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=NN=C(N1C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)SCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCC1=NN=C(N1C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)SCC3=CC=CC=C3

InChI

InChI=1S/C30H43N3OS/c1-8-9-10-11-15-18-26-31-32-28(35-21-22-16-13-12-14-17-22)33(26)23-19-24(29(2,3)4)27(34)25(20-23)30(5,6)7/h12-14,16-17,19-20,34H,8-11,15,18,21H2,1-7H3