6-(1,2,4-triazol-1-ylmethyl)-2,3-dihydroinden-1-one

Systemtic Name: 6-(1,2,4-triazol-1-ylmethyl)-2,3-dihydroinden-1-one Openeye Name: 6-(1,2,4-triazol-1-ylmethyl)indan-1-one CAS Name: 6-(1,2,4-triazol-1-ylmethyl)-2,3-dihydroinden-1-one IUPAC Name: 6-(1,2,4-triazol-1-ylmethyl)-2,3-dihydroinden-1-one Traditional Name: 6-(1,2,4-triazol-1-ylmethyl)indan-1-one Formula: C12H11N3O MolecularWeight: 213.23524

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C2=C1C=CC(=C2)CN3C=NC=N3

Isomeric SMILES

C1CC(=O)C2=C1C=CC(=C2)CN3C=NC=N3

InChI

InChI=1S/C12H11N3O/c16-12-4-3-10-2-1-9(5-11(10)12)6-15-8-13-7-14-15/h1-2,5,7-8H,3-4,6H2