1,4-bis(4-chloranylphenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one

Systemtic Name: 1,4-bis(4-chloranylphenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one Openeye Name: 1,4-bis(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one CAS Name: 1,4-bis(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)-2-butanone IUPAC Name: 1,4-bis(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one Traditional Name: 1,4-bis(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one Formula: C20H19Cl2N3O3 MolecularWeight: 420.28916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(COC1=CC=C(C=C1)Cl)C(=O)C(N2C=NC=N2)OC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(COC1=CC=C(C=C1)Cl)C(=O)C(N2C=NC=N2)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H19Cl2N3O3/c1-20(2,11-27-16-7-3-14(21)4-8-16)18(26)19(25-13-23-12-24-25)28-17-9-5-15(22)6-10-17/h3-10,12-13,19H,11H2,1-2H3