4-bromanyl-2-[(4-methylphenyl)methyl]pyrazole-3-carbonitrile

Systemtic Name: 4-bromanyl-2-[(4-methylphenyl)methyl]pyrazole-3-carbonitrile Openeye Name: 4-bromo-2-(p-tolylmethyl)pyrazole-3-carbonitrile CAS Name: 4-bromo-2-[(4-methylphenyl)methyl]-3-pyrazolecarbonitrile IUPAC Name: 4-bromo-2-[(4-methylphenyl)methyl]pyrazole-3-carbonitrile Traditional Name: 4-bromo-2-(4-methylbenzyl)pyrazole-3-carbonitrile Formula: C12H10BrN3 MolecularWeight: 276.1319

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10BrN3/c1-9-2-4-10(5-3-9)8-16-12(6-14)11(13)7-15-16/h2-5,7H,8H2,1H3