4-phenyl-2-[3-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazol-3-one

Systemtic Name: 4-phenyl-2-[3-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazol-3-one Openeye Name: 4-phenyl-2-[3-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazol-3-one CAS Name: 4-phenyl-2-[3-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazol-3-one IUPAC Name: 4-phenyl-2-[3-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazol-3-one Traditional Name: 4-phenyl-2-[3-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazol-3-one Formula: C13H14N6O MolecularWeight: 270.28986

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=NN(C2=O)CCCN3C=NC=N3

Isomeric SMILES

C1=CC=C(C=C1)N2C=NN(C2=O)CCCN3C=NC=N3

InChI

InChI=1S/C13H14N6O/c20-13-18(12-5-2-1-3-6-12)11-16-19(13)8-4-7-17-10-14-9-15-17/h1-3,5-6,9-11H,4,7-8H2