1-(4-bromophenyl)-4-(1,2,4-triazol-1-yl)butan-1-one

Systemtic Name: 1-(4-bromophenyl)-4-(1,2,4-triazol-1-yl)butan-1-one Openeye Name: 1-(4-bromophenyl)-4-(1,2,4-triazol-1-yl)butan-1-one CAS Name: 1-(4-bromophenyl)-4-(1,2,4-triazol-1-yl)-1-butanone IUPAC Name: 1-(4-bromophenyl)-4-(1,2,4-triazol-1-yl)butan-1-one Traditional Name: 1-(4-bromophenyl)-4-(1,2,4-triazol-1-yl)butan-1-one Formula: C12H12BrN3O MolecularWeight: 294.14718

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CCCN2C=NC=N2)Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)CCCN2C=NC=N2)Br

InChI

InChI=1S/C12H12BrN3O/c13-11-5-3-10(4-6-11)12(17)2-1-7-16-9-14-8-15-16/h3-6,8-9H,1-2,7H2