5-(4-tert-butylphenyl)-1-(phenylsulfonyl)-3-propan-2-yloxy-1,2,4-triazole

Systemtic Name: 5-(4-tert-butylphenyl)-1-(phenylsulfonyl)-3-propan-2-yloxy-1,2,4-triazole Openeye Name: 1-(benzenesulfonyl)-5-(4-tert-butylphenyl)-3-isopropoxy-1,2,4-triazole CAS Name: 1-(benzenesulfonyl)-5-(4-tert-butylphenyl)-3-propan-2-yloxy-1,2,4-triazole IUPAC Name: 1-(benzenesulfonyl)-5-(4-tert-butylphenyl)-3-propan-2-yloxy-1,2,4-triazole Traditional Name: 1-besyl-5-(4-tert-butylphenyl)-3-isopropoxy-1,2,4-triazole Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=NN(C(=N1)C2=CC=C(C=C2)C(C)(C)C)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)OC1=NN(C(=N1)C2=CC=C(C=C2)C(C)(C)C)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O3S/c1-15(2)27-20-22-19(16-11-13-17(14-12-16)21(3,4)5)24(23-20)28(25,26)18-9-7-6-8-10-18/h6-15H,1-5H3