1-[(4-pyrazol-1-ylphenyl)methyl]-1,2,4-triazole-3-carbonitrile

Systemtic Name: 1-[(4-pyrazol-1-ylphenyl)methyl]-1,2,4-triazole-3-carbonitrile Openeye Name: 1-[(4-pyrazol-1-ylphenyl)methyl]-1,2,4-triazole-3-carbonitrile CAS Name: 1-[[4-(1-pyrazolyl)phenyl]methyl]-1,2,4-triazole-3-carbonitrile IUPAC Name: 1-[(4-pyrazol-1-ylphenyl)methyl]-1,2,4-triazole-3-carbonitrile Traditional Name: 1-(4-pyrazol-1-ylbenzyl)-1,2,4-triazole-3-carbonitrile Formula: C13H10N6 MolecularWeight: 250.2587

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)C2=CC=C(C=C2)CN3C=NC(=N3)C#N

Isomeric SMILES

C1=CN(N=C1)C2=CC=C(C=C2)CN3C=NC(=N3)C#N

InChI

InChI=1S/C13H10N6/c14-8-13-15-10-18(17-13)9-11-2-4-12(5-3-11)19-7-1-6-16-19/h1-7,10H,9H2