ethyl (4E)-5-oxidanylidene-1-phenyl-4-[(prop-2-enylcarbamothioylamino)methylidene]pyrazole-3-carboxylate

Systemtic Name: ethyl (4E)-5-oxidanylidene-1-phenyl-4-[(prop-2-enylcarbamothioylamino)methylidene]pyrazole-3-carboxylate Openeye Name: ethyl (4E)-4-[(allylcarbamothioylamino)methylene]-5-oxo-1-phenyl-pyrazole-3-carboxylate CAS Name: (4E)-5-oxo-1-phenyl-4-[[[(prop-2-enylamino)-sulfanylidenemethyl]amino]methylidene]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl (4E)-5-oxo-1-phenyl-4-[(prop-2-enylcarbamothioylamino)methylidene]pyrazole-3-carboxylate Traditional Name: (4E)-4-[(allylthiocarbamoylamino)methylene]-5-keto-1-phenyl-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C17H18N4O3S MolecularWeight: 358.41482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O3S/c1-3-10-18-17(25)19-11-13-14(16(23)24-4-2)20-21(15(13)22)12-8-6-5-7-9-12/h3,5-9,11H,1,4,10H2,2H3,(H2,18,19,25)/b13-11+