5-(3-chlorophenyl)-3-(2-methylpropoxy)-1-(phenylsulfonyl)-1,2,4-triazole

Systemtic Name: 5-(3-chlorophenyl)-3-(2-methylpropoxy)-1-(phenylsulfonyl)-1,2,4-triazole Openeye Name: 1-(benzenesulfonyl)-5-(3-chlorophenyl)-3-isobutoxy-1,2,4-triazole CAS Name: 1-(benzenesulfonyl)-5-(3-chlorophenyl)-3-(2-methylpropoxy)-1,2,4-triazole IUPAC Name: 1-(benzenesulfonyl)-5-(3-chlorophenyl)-3-(2-methylpropoxy)-1,2,4-triazole Traditional Name: 1-besyl-5-(3-chlorophenyl)-3-isobutoxy-1,2,4-triazole Formula: C18H18ClN3O3S MolecularWeight: 391.87182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=NN(C(=N1)C2=CC(=CC=C2)Cl)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)COC1=NN(C(=N1)C2=CC(=CC=C2)Cl)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H18ClN3O3S/c1-13(2)12-25-18-20-17(14-7-6-8-15(19)11-14)22(21-18)26(23,24)16-9-4-3-5-10-16/h3-11,13H,12H2,1-2H3