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

Systemtic Name: 3-[(5S)-5-(4-bromophenyl)-3-methyl-5-oxidanyl-4H-pyrazol-1-yl]-3-oxidanylidene-propanenitrile Openeye Name: 3-[(5S)-5-(4-bromophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-3-oxo-propanenitrile CAS Name: 3-[(5S)-5-(4-bromophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-3-oxopropanenitrile IUPAC Name: 3-[(5S)-5-(4-bromophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-3-oxopropanenitrile Traditional Name: 3-[(5S)-5-(4-bromophenyl)-5-hydroxy-3-methyl-2-pyrazolin-1-yl]-3-keto-propionitrile Formula: C13H12BrN3O2 MolecularWeight: 322.15728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12BrN3O2/c1-9-8-13(19,10-2-4-11(14)5-3-10)17(16-9)12(18)6-7-15/h2-5,19H,6,8H2,1H3/t13-/m0/s1