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

Systemtic Name: 4-(2,4-dichlorophenyl)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one Openeye Name: 4-(2,4-dichlorophenyl)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one CAS Name: 4-(2,4-dichlorophenyl)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)-2-butanone IUPAC Name: 4-(2,4-dichlorophenyl)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one Traditional Name: 4-(2,4-dichlorophenyl)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one Formula: C14H15Cl2N3O MolecularWeight: 312.1944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=C(C=C(C=C1)Cl)Cl)C(=O)CN2C=NC=N2

Isomeric SMILES

CC(C)(CC1=C(C=C(C=C1)Cl)Cl)C(=O)CN2C=NC=N2

InChI

InChI=1S/C14H15Cl2N3O/c1-14(2,13(20)7-19-9-17-8-18-19)6-10-3-4-11(15)5-12(10)16/h3-5,8-9H,6-7H2,1-2H3