4-[5-[(4-bromanylphenoxy)methyl]-1,2-dihydro-1,2,4-triazol-3-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[5-[(4-bromanylphenoxy)methyl]-1,2-dihydro-1,2,4-triazol-3-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[5-[(4-bromophenoxy)methyl]-1,2-dihydro-1,2,4-triazol-3-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[5-[(4-bromophenoxy)methyl]-1,2-dihydro-1,2,4-triazol-3-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[5-[(4-bromophenoxy)methyl]-1,2-dihydro-1,2,4-triazol-3-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[5-[(4-bromophenoxy)methyl]-1,2-dihydro-1,2,4-triazol-3-ylidene]cyclohexa-2,5-dien-1-one Formula: C15H12BrN3O2 MolecularWeight: 346.17868

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C=CC1=C2NNC(=N2)COC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC(=O)C=CC1=C2NNC(=N2)COC3=CC=C(C=C3)Br

InChI

InChI=1S/C15H12BrN3O2/c16-11-3-7-13(8-4-11)21-9-14-17-15(19-18-14)10-1-5-12(20)6-2-10/h1-8,19H,9H2,(H,17,18)