7-bromanyl-3-[(E)-1H-1,2,4-triazol-5-yliminomethyl]chromen-4-one

Systemtic Name: 7-bromanyl-3-[(E)-1H-1,2,4-triazol-5-yliminomethyl]chromen-4-one Openeye Name: 7-bromo-3-[(E)-1H-1,2,4-triazol-5-yliminomethyl]chromen-4-one CAS Name: 7-bromo-3-[(E)-1H-1,2,4-triazol-5-yliminomethyl]-1-benzopyran-4-one IUPAC Name: 7-bromo-3-[(E)-1H-1,2,4-triazol-5-yliminomethyl]chromen-4-one Traditional Name: 7-bromo-3-[(E)-1H-1,2,4-triazol-5-yliminomethyl]chromone Formula: C12H7BrN4O2 MolecularWeight: 319.11358

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)OC=C(C2=O)C=NC3=NC=NN3

Isomeric SMILES

C1=CC2=C(C=C1Br)OC=C(C2=O)/C=N/C3=NC=NN3

InChI

InChI=1S/C12H7BrN4O2/c13-8-1-2-9-10(3-8)19-5-7(11(9)18)4-14-12-15-6-16-17-12/h1-6H,(H,15,16,17)/b14-4+