4-[(1-carbamothioyl-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl)diazenyl]benzamide

Systemtic Name: 4-[(1-carbamothioyl-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl)diazenyl]benzamide Openeye Name: 4-[(1-carbamothioyl-3-methyl-5-oxo-4H-pyrazol-4-yl)azo]benzamide CAS Name: 4-[(1-carbamothioyl-3-methyl-5-oxo-4H-pyrazol-4-yl)azo]benzamide IUPAC Name: 4-[(1-carbamothioyl-3-methyl-5-oxo-4H-pyrazol-4-yl)diazenyl]benzamide Traditional Name: 4-[(5-keto-3-methyl-1-thiocarbamoyl-2-pyrazolin-4-yl)azo]benzamide Formula: C12H12N6O2S MolecularWeight: 304.32768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N6O2S/c1-6-9(11(20)18(17-6)12(14)21)16-15-8-4-2-7(3-5-8)10(13)19/h2-5,9H,1H3,(H2,13,19)(H2,14,21)