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

Systemtic Name: 2-carbamothioyl-4-[(1S)-2,2-dicyano-1-(4-nitrophenyl)ethyl]-5-methyl-pyrazol-3-olate Openeye Name: 2-carbamothioyl-4-[(1S)-2,2-dicyano-1-(4-nitrophenyl)ethyl]-5-methyl-pyrazol-3-olate CAS Name: 2-carbamothioyl-4-[(1S)-2,2-dicyano-1-(4-nitrophenyl)ethyl]-5-methyl-3-pyrazololate IUPAC Name: 2-carbamothioyl-4-[(1S)-2,2-dicyano-1-(4-nitrophenyl)ethyl]-5-methylpyrazol-3-olate Traditional Name: 4-[(1S)-2,2-dicyano-1-(4-nitrophenyl)ethyl]-5-methyl-2-thiocarbamoyl-pyrazol-3-olate Formula: C15H11N6O3S- MolecularWeight: 355.35124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12N6O3S/c1-8-12(14(22)20(19-8)15(18)25)13(10(6-16)7-17)9-2-4-11(5-3-9)21(23)24/h2-5,10,13,22H,1H3,(H2,18,25)/p-1/t13-/m1/s1