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

Systemtic Name: 4-(4-chlorophenyl)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one Openeye Name: 4-(4-chlorophenyl)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one CAS Name: 4-(4-chlorophenyl)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)-2-butanone IUPAC Name: 4-(4-chlorophenyl)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one Traditional Name: 4-(4-chlorophenyl)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one Formula: C14H16ClN3O MolecularWeight: 277.74934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16ClN3O/c1-14(2,7-11-3-5-12(15)6-4-11)13(19)8-18-10-16-9-17-18/h3-6,9-10H,7-8H2,1-2H3