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

Systemtic Name: 4-chloranyl-1-[3-(2-ethoxyethoxy)-5-(2-methylphenyl)-1,2,4-triazol-1-yl]butan-1-one Openeye Name: 4-chloro-1-[3-(2-ethoxyethoxy)-5-(o-tolyl)-1,2,4-triazol-1-yl]butan-1-one CAS Name: 4-chloro-1-[3-(2-ethoxyethoxy)-5-(2-methylphenyl)-1,2,4-triazol-1-yl]-1-butanone IUPAC Name: 4-chloro-1-[3-(2-ethoxyethoxy)-5-(2-methylphenyl)-1,2,4-triazol-1-yl]butan-1-one Traditional Name: 4-chloro-1-[3-(2-ethoxyethoxy)-5-(o-tolyl)-1,2,4-triazol-1-yl]butan-1-one Formula: C17H22ClN3O3 MolecularWeight: 351.82788

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC1=NN(C(=N1)C2=CC=CC=C2C)C(=O)CCCCl

Isomeric SMILES

CCOCCOC1=NN(C(=N1)C2=CC=CC=C2C)C(=O)CCCCl

InChI

InChI=1S/C17H22ClN3O3/c1-3-23-11-12-24-17-19-16(14-8-5-4-7-13(14)2)21(20-17)15(22)9-6-10-18/h4-5,7-8H,3,6,9-12H2,1-2H3