3-butoxy-1-(4-tert-butylphenyl)sulfonyl-5-(4-chlorophenyl)-1,2,4-triazole

Systemtic Name: 3-butoxy-1-(4-tert-butylphenyl)sulfonyl-5-(4-chlorophenyl)-1,2,4-triazole Openeye Name: 3-butoxy-1-(4-tert-butylphenyl)sulfonyl-5-(4-chlorophenyl)-1,2,4-triazole CAS Name: 3-butoxy-1-(4-tert-butylphenyl)sulfonyl-5-(4-chlorophenyl)-1,2,4-triazole IUPAC Name: 3-butoxy-1-(4-tert-butylphenyl)sulfonyl-5-(4-chlorophenyl)-1,2,4-triazole Traditional Name: 3-butoxy-1-(4-tert-butylphenyl)sulfonyl-5-(4-chlorophenyl)-1,2,4-triazole Formula: C22H26ClN3O3S MolecularWeight: 447.97814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NN(C(=N1)C2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCCCOC1=NN(C(=N1)C2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C22H26ClN3O3S/c1-5-6-15-29-21-24-20(16-7-11-18(23)12-8-16)26(25-21)30(27,28)19-13-9-17(10-14-19)22(2,3)4/h7-14H,5-6,15H2,1-4H3