3-(1,2,4-triazol-4-ylmethyl)xanthen-9-one

Systemtic Name: 3-(1,2,4-triazol-4-ylmethyl)xanthen-9-one Openeye Name: 3-(1,2,4-triazol-4-ylmethyl)xanthen-9-one CAS Name: 3-(1,2,4-triazol-4-ylmethyl)-9-xanthenone IUPAC Name: 3-(1,2,4-triazol-4-ylmethyl)xanthen-9-one Traditional Name: 3-(1,2,4-triazol-4-ylmethyl)xanthone Formula: C16H11N3O2 MolecularWeight: 277.27744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(O2)C=C(C=C3)CN4C=NN=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(O2)C=C(C=C3)CN4C=NN=C4

InChI

InChI=1S/C16H11N3O2/c20-16-12-3-1-2-4-14(12)21-15-7-11(5-6-13(15)16)8-19-9-17-18-10-19/h1-7,9-10H,8H2