1-[(2,5-dimethylphenyl)methyl]-1,2,4-triazole-3-carbonitrile

Systemtic Name: 1-[(2,5-dimethylphenyl)methyl]-1,2,4-triazole-3-carbonitrile Openeye Name: 1-[(2,5-dimethylphenyl)methyl]-1,2,4-triazole-3-carbonitrile CAS Name: 1-[(2,5-dimethylphenyl)methyl]-1,2,4-triazole-3-carbonitrile IUPAC Name: 1-[(2,5-dimethylphenyl)methyl]-1,2,4-triazole-3-carbonitrile Traditional Name: 1-(2,5-dimethylbenzyl)-1,2,4-triazole-3-carbonitrile Formula: C12H12N4 MolecularWeight: 212.25048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN2C=NC(=N2)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C=NC(=N2)C#N

InChI

InChI=1S/C12H12N4/c1-9-3-4-10(2)11(5-9)7-16-8-14-12(6-13)15-16/h3-5,8H,7H2,1-2H3