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

Systemtic Name: 3-methyl-1-[5-(2-methylphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]butan-1-one Openeye Name: 1-[3-isobutoxy-5-(o-tolyl)-1,2,4-triazol-1-yl]-3-methyl-butan-1-one CAS Name: 3-methyl-1-[5-(2-methylphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]-1-butanone IUPAC Name: 3-methyl-1-[5-(2-methylphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]butan-1-one Traditional Name: 1-[3-isobutoxy-5-(o-tolyl)-1,2,4-triazol-1-yl]-3-methyl-butan-1-one Formula: C18H25N3O2 MolecularWeight: 315.41

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC(=NN2C(=O)CC(C)C)OCC(C)C

Isomeric SMILES

CC1=CC=CC=C1C2=NC(=NN2C(=O)CC(C)C)OCC(C)C

InChI

InChI=1S/C18H25N3O2/c1-12(2)10-16(22)21-17(15-9-7-6-8-14(15)5)19-18(20-21)23-11-13(3)4/h6-9,12-13H,10-11H2,1-5H3