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

Systemtic Name: 3-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-one Openeye Name: 3-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-one CAS Name: 3-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)-2-butanone IUPAC Name: 3-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-one Traditional Name: 3-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-one Formula: C12H12ClN3O MolecularWeight: 249.69618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12ClN3O/c1-9(10-2-4-11(13)5-3-10)12(17)6-16-8-14-7-15-16/h2-5,7-9H,6H2,1H3