4-[[(E)-(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)methylideneamino]carbamothioylamino]benzoic acid

Systemtic Name: 4-[[(E)-(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)methylideneamino]carbamothioylamino]benzoic acid Openeye Name: 4-[[(E)-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)methyleneamino]carbamothioylamino]benzoic acid CAS Name: 4-[[[(2E)-2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)methylidene]hydrazinyl]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-[[(E)-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)methylideneamino]carbamothioylamino]benzoic acid Traditional Name: 4-[[(E)-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl)methyleneamino]thiocarbamoylamino]benzoic acid Formula: C19H17N5O3S MolecularWeight: 395.43498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1C=NNC(=S)NC2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=O)C1/C=N/NC(=S)NC2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C19H17N5O3S/c1-12-16(17(25)24(23-12)15-5-3-2-4-6-15)11-20-22-19(28)21-14-9-7-13(8-10-14)18(26)27/h2-11,16H,1H3,(H,26,27)(H2,21,22,28)/b20-11+