1-[3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfonyl]propyl]-1,2,4-triazole

Systemtic Name: 1-[3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfonyl]propyl]-1,2,4-triazole Openeye Name: 1-[3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfonyl]propyl]-1,2,4-triazole CAS Name: 1-[3-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfonyl]propyl]-1,2,4-triazole IUPAC Name: 1-[3-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfonyl]propyl]-1,2,4-triazole Traditional Name: 1-[3-(4-tert-butyl-2,6-dimethyl-benzyl)sulfonylpropyl]-1,2,4-triazole Formula: C18H27N3O2S MolecularWeight: 349.49088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CS(=O)(=O)CCCN2C=NC=N2)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CS(=O)(=O)CCCN2C=NC=N2)C)C(C)(C)C

InChI

InChI=1S/C18H27N3O2S/c1-14-9-16(18(3,4)5)10-15(2)17(14)11-24(22,23)8-6-7-21-13-19-12-20-21/h9-10,12-13H,6-8,11H2,1-5H3