5-(phenylmethyl)-1,2,4-triazol-3-one

Systemtic Name: 5-(phenylmethyl)-1,2,4-triazol-3-one Openeye Name: 5-benzyl-1,2,4-triazol-3-one CAS Name: 5-(phenylmethyl)-1,2,4-triazol-3-one IUPAC Name: 5-benzyl-1,2,4-triazol-3-one Traditional Name: 5-benzyl-1,2,4-triazol-3-one Formula: C9H7N3O MolecularWeight: 173.17138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NC(=O)N=N2

Isomeric SMILES

C1=CC=C(C=C1)CC2=NC(=O)N=N2

InChI

InChI=1S/C9H7N3O/c13-9-10-8(11-12-9)6-7-4-2-1-3-5-7/h1-5H,6H2