1-[5-(3-chlorophenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]-3-methyl-butan-1-one

Systemtic Name: 1-[5-(3-chlorophenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]-3-methyl-butan-1-one Openeye Name: 1-[5-(3-chlorophenyl)-3-isobutoxy-1,2,4-triazol-1-yl]-3-methyl-butan-1-one CAS Name: 1-[5-(3-chlorophenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]-3-methyl-1-butanone IUPAC Name: 1-[5-(3-chlorophenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]-3-methylbutan-1-one Traditional Name: 1-[5-(3-chlorophenyl)-3-isobutoxy-1,2,4-triazol-1-yl]-3-methyl-butan-1-one Formula: C17H22ClN3O2 MolecularWeight: 335.82848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1C(=NC(=N1)OCC(C)C)C2=CC(=CC=C2)Cl

Isomeric SMILES

CC(C)CC(=O)N1C(=NC(=N1)OCC(C)C)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C17H22ClN3O2/c1-11(2)8-15(22)21-16(13-6-5-7-14(18)9-13)19-17(20-21)23-10-12(3)4/h5-7,9,11-12H,8,10H2,1-4H3