2-(1,2,4-triazol-4-ylamino)cyclohepta-2,4,6-trien-1-one

Systemtic Name: 2-(1,2,4-triazol-4-ylamino)cyclohepta-2,4,6-trien-1-one Openeye Name: 2-(1,2,4-triazol-4-ylamino)cyclohepta-2,4,6-trien-1-one CAS Name: 2-(1,2,4-triazol-4-ylamino)-1-cyclohepta-2,4,6-trienone IUPAC Name: 2-(1,2,4-triazol-4-ylamino)cyclohepta-2,4,6-trien-1-one Traditional Name: 2-(1,2,4-triazol-4-ylamino)cyclohepta-2,4,6-trien-1-one Formula: C9H8N4O MolecularWeight: 188.18602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=O)C=C1)NN2C=NN=C2

Isomeric SMILES

C1=CC=C(C(=O)C=C1)NN2C=NN=C2

InChI

InChI=1S/C9H8N4O/c14-9-5-3-1-2-4-8(9)12-13-6-10-11-7-13/h1-7H,(H,12,14)