ethyl (4E)-4-[(carbamothioylamino)methylidene]-5-oxidanylidene-1-phenyl-pyrazole-3-carboxylate

Systemtic Name: ethyl (4E)-4-[(carbamothioylamino)methylidene]-5-oxidanylidene-1-phenyl-pyrazole-3-carboxylate Openeye Name: ethyl (4E)-4-[(carbamothioylamino)methylene]-5-oxo-1-phenyl-pyrazole-3-carboxylate CAS Name: (4E)-4-[(carbamothioylamino)methylidene]-5-oxo-1-phenyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl (4E)-4-[(carbamothioylamino)methylidene]-5-oxo-1-phenylpyrazole-3-carboxylate Traditional Name: (4E)-5-keto-1-phenyl-4-(thioureidomethylene)-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C14H14N4O3S MolecularWeight: 318.35096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C1=CNC(=S)N)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C\1=NN(C(=O)/C1=C/NC(=S)N)C2=CC=CC=C2

InChI

InChI=1S/C14H14N4O3S/c1-2-21-13(20)11-10(8-16-14(15)22)12(19)18(17-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H3,15,16,22)/b10-8+