3-[(5S)-3-methyl-5-(4-methylphenyl)-5-oxidanyl-4H-pyrazol-1-yl]-3-oxidanylidene-propanenitrile

Systemtic Name: 3-[(5S)-3-methyl-5-(4-methylphenyl)-5-oxidanyl-4H-pyrazol-1-yl]-3-oxidanylidene-propanenitrile Openeye Name: 3-[(5S)-5-hydroxy-3-methyl-5-(p-tolyl)-4H-pyrazol-1-yl]-3-oxo-propanenitrile CAS Name: 3-[(5S)-5-hydroxy-3-methyl-5-(4-methylphenyl)-4H-pyrazol-1-yl]-3-oxopropanenitrile IUPAC Name: 3-[(5S)-5-hydroxy-3-methyl-5-(4-methylphenyl)-4H-pyrazol-1-yl]-3-oxopropanenitrile Traditional Name: 3-[(5S)-5-hydroxy-3-methyl-5-(p-tolyl)-2-pyrazolin-1-yl]-3-keto-propionitrile Formula: C14H15N3O2 MolecularWeight: 257.2878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(C1)(C2=CC=C(C=C2)C)O)C(=O)CC#N

Isomeric SMILES

CC1=NN([C@](C1)(C2=CC=C(C=C2)C)O)C(=O)CC#N

InChI

InChI=1S/C14H15N3O2/c1-10-3-5-12(6-4-10)14(19)9-11(2)16-17(14)13(18)7-8-15/h3-6,19H,7,9H2,1-2H3/t14-/m0/s1