4-[4-(1,2,3-triazol-1-ylmethyl)phenyl]-1H-1,2,4-triazol-5-one

Systemtic Name: 4-[4-(1,2,3-triazol-1-ylmethyl)phenyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-[4-(triazol-1-ylmethyl)phenyl]-1H-1,2,4-triazol-5-one CAS Name: 4-[4-(1-triazolylmethyl)phenyl]-1H-1,2,4-triazol-5-one IUPAC Name: 4-[4-(triazol-1-ylmethyl)phenyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-[4-(triazol-1-ylmethyl)phenyl]-1H-1,2,4-triazol-5-one Formula: C11H10N6O MolecularWeight: 242.2367

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=CN=N2)N3C=NNC3=O

Isomeric SMILES

C1=CC(=CC=C1CN2C=CN=N2)N3C=NNC3=O

InChI

InChI=1S/C11H10N6O/c18-11-14-13-8-17(11)10-3-1-9(2-4-10)7-16-6-5-12-15-16/h1-6,8H,7H2,(H,14,18)