2-methyl-4-[4-(1,2,3-triazol-1-ylmethyl)phenyl]-1,2,4-triazol-3-one

Systemtic Name: 2-methyl-4-[4-(1,2,3-triazol-1-ylmethyl)phenyl]-1,2,4-triazol-3-one Openeye Name: 2-methyl-4-[4-(triazol-1-ylmethyl)phenyl]-1,2,4-triazol-3-one CAS Name: 2-methyl-4-[4-(1-triazolylmethyl)phenyl]-1,2,4-triazol-3-one IUPAC Name: 2-methyl-4-[4-(triazol-1-ylmethyl)phenyl]-1,2,4-triazol-3-one Traditional Name: 2-methyl-4-[4-(triazol-1-ylmethyl)phenyl]-1,2,4-triazol-3-one Formula: C12H12N6O MolecularWeight: 256.26328

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)N(C=N1)C2=CC=C(C=C2)CN3C=CN=N3

Isomeric SMILES

CN1C(=O)N(C=N1)C2=CC=C(C=C2)CN3C=CN=N3

InChI

InChI=1S/C12H12N6O/c1-16-12(19)18(9-14-16)11-4-2-10(3-5-11)8-17-7-6-13-15-17/h2-7,9H,8H2,1H3