3-(4-chlorophenyl)-3-methyl-1-(1,2,4-triazol-1-yl)butan-2-one

Systemtic Name: 3-(4-chlorophenyl)-3-methyl-1-(1,2,4-triazol-1-yl)butan-2-one Openeye Name: 3-(4-chlorophenyl)-3-methyl-1-(1,2,4-triazol-1-yl)butan-2-one CAS Name: 3-(4-chlorophenyl)-3-methyl-1-(1,2,4-triazol-1-yl)-2-butanone IUPAC Name: 3-(4-chlorophenyl)-3-methyl-1-(1,2,4-triazol-1-yl)butan-2-one Traditional Name: 3-(4-chlorophenyl)-3-methyl-1-(1,2,4-triazol-1-yl)butan-2-one Formula: C13H14ClN3O MolecularWeight: 263.72276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14ClN3O/c1-13(2,10-3-5-11(14)6-4-10)12(18)7-17-9-15-8-16-17/h3-6,8-9H,7H2,1-2H3