N-[4-[[(4R)-1-carbamothioyl-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]phenyl]ethanamide

Systemtic Name: N-[4-[[(4R)-1-carbamothioyl-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]phenyl]ethanamide Openeye Name: N-[4-[[(4R)-1-carbamothioyl-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]phenyl]acetamide CAS Name: N-[4-[[(4R)-1-carbamothioyl-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]phenyl]acetamide IUPAC Name: N-[4-[[(4R)-1-carbamothioyl-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]phenyl]acetamide Traditional Name: N-[4-[[(4R)-5-keto-3-methyl-1-thiocarbamoyl-2-pyrazolin-4-yl]azo]phenyl]acetamide Formula: C13H14N6O2S MolecularWeight: 318.35426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)NC(=O)C)C(=S)N

Isomeric SMILES

CC1=NN(C(=O)[C@@H]1N=NC2=CC=C(C=C2)NC(=O)C)C(=S)N

InChI

InChI=1S/C13H14N6O2S/c1-7-11(12(21)19(18-7)13(14)22)17-16-10-5-3-9(4-6-10)15-8(2)20/h3-6,11H,1-2H3,(H2,14,22)(H,15,20)/t11-/m1/s1