4-[(5-azanyl-3-oxidanylidene-1H-pyrazol-2-yl)methyl]-2-methyl-benzenecarbonitrile

Systemtic Name: 4-[(5-azanyl-3-oxidanylidene-1H-pyrazol-2-yl)methyl]-2-methyl-benzenecarbonitrile Openeye Name: 4-[(5-amino-3-oxo-1H-pyrazol-2-yl)methyl]-2-methyl-benzonitrile CAS Name: 4-[(5-amino-3-oxo-1H-pyrazol-2-yl)methyl]-2-methylbenzonitrile IUPAC Name: 4-[(5-amino-3-oxo-1H-pyrazol-2-yl)methyl]-2-methylbenzonitrile Traditional Name: 4-[(3-amino-5-keto-3-pyrazolin-1-yl)methyl]-2-methyl-benzonitrile Formula: C12H12N4O MolecularWeight: 228.24988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N4O/c1-8-4-9(2-3-10(8)6-13)7-16-12(17)5-11(14)15-16/h2-5,15H,7,14H2,1H3