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

Systemtic Name: 1-phenyl-3-(1,2,4-triazol-1-yl)butan-1-one Openeye Name: 1-phenyl-3-(1,2,4-triazol-1-yl)butan-1-one CAS Name: 1-phenyl-3-(1,2,4-triazol-1-yl)-1-butanone IUPAC Name: 1-phenyl-3-(1,2,4-triazol-1-yl)butan-1-one Traditional Name: 1-phenyl-3-(1,2,4-triazol-1-yl)butan-1-one Formula: C12H13N3O MolecularWeight: 215.25112

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)C1=CC=CC=C1)N2C=NC=N2

Isomeric SMILES

CC(CC(=O)C1=CC=CC=C1)N2C=NC=N2

InChI

InChI=1S/C12H13N3O/c1-10(15-9-13-8-14-15)7-12(16)11-5-3-2-4-6-11/h2-6,8-10H,7H2,1H3