2-carbamothioyl-4-[(1S)-1-(4-chlorophenyl)-2,2-dicyano-ethyl]-5-methyl-pyrazol-3-olate

Systemtic Name: 2-carbamothioyl-4-[(1S)-1-(4-chlorophenyl)-2,2-dicyano-ethyl]-5-methyl-pyrazol-3-olate Openeye Name: 2-carbamothioyl-4-[(1S)-1-(4-chlorophenyl)-2,2-dicyano-ethyl]-5-methyl-pyrazol-3-olate CAS Name: 2-carbamothioyl-4-[(1S)-1-(4-chlorophenyl)-2,2-dicyanoethyl]-5-methyl-3-pyrazololate IUPAC Name: 2-carbamothioyl-4-[(1S)-1-(4-chlorophenyl)-2,2-dicyanoethyl]-5-methylpyrazol-3-olate Traditional Name: 4-[(1S)-1-(4-chlorophenyl)-2,2-dicyano-ethyl]-5-methyl-2-thiocarbamoyl-pyrazol-3-olate Formula: C15H11ClN5OS- MolecularWeight: 344.79874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(C2=CC=C(C=C2)Cl)C(C#N)C#N)[O-])C(=S)N

Isomeric SMILES

CC1=NN(C(=C1[C@H](C2=CC=C(C=C2)Cl)C(C#N)C#N)[O-])C(=S)N

InChI

InChI=1S/C15H12ClN5OS/c1-8-12(14(22)21(20-8)15(19)23)13(10(6-17)7-18)9-2-4-11(16)5-3-9/h2-5,10,13,22H,1H3,(H2,19,23)/p-1/t13-/m1/s1