methyl 5-oxidanylidene-4-[(prop-2-enylcarbamothioylamino)methylidene]-1-pyridin-4-ylcarbonyl-pyrazole-3-carboxylate

Systemtic Name: methyl 5-oxidanylidene-4-[(prop-2-enylcarbamothioylamino)methylidene]-1-pyridin-4-ylcarbonyl-pyrazole-3-carboxylate Openeye Name: methyl 4-[(allylcarbamothioylamino)methylene]-5-oxo-1-(pyridine-4-carbonyl)pyrazole-3-carboxylate CAS Name: 5-oxo-1-[oxo(pyridin-4-yl)methyl]-4-[[[(prop-2-enylamino)-sulfanylidenemethyl]amino]methylidene]-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-oxo-4-[(prop-2-enylcarbamothioylamino)methylidene]-1-(pyridine-4-carbonyl)pyrazole-3-carboxylate Traditional Name: 4-[(allylthiocarbamoylamino)methylene]-1-isonicotinoyl-5-keto-2-pyrazoline-3-carboxylic acid methyl ester Formula: C16H15N5O4S MolecularWeight: 373.3864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(C(=O)C1=CNC(=S)NCC=C)C(=O)C2=CC=NC=C2

Isomeric SMILES

COC(=O)C1=NN(C(=O)C1=CNC(=S)NCC=C)C(=O)C2=CC=NC=C2

InChI

InChI=1S/C16H15N5O4S/c1-3-6-18-16(26)19-9-11-12(15(24)25-2)20-21(14(11)23)13(22)10-4-7-17-8-5-10/h3-5,7-9H,1,6H2,2H3,(H2,18,19,26)