3-[[(Z)-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylideneamino]carbamothioylamino]benzoate

Systemtic Name: 3-[[(Z)-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylideneamino]carbamothioylamino]benzoate Openeye Name: 3-[[(Z)-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyleneamino]carbamothioylamino]benzoate CAS Name: 3-[[[(2Z)-2-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methylidene]hydrazinyl]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 3-[[(Z)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]carbamothioylamino]benzoate Traditional Name: 3-[[(Z)-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyleneamino]thiocarbamoylamino]benzoate Formula: C19H15ClN5O2S- MolecularWeight: 412.8727

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=NNC(=S)NC2=CC=CC(=C2)C(=O)[O-])Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1/C=N\NC(=S)NC2=CC=CC(=C2)C(=O)[O-])Cl)C3=CC=CC=C3

InChI

InChI=1S/C19H16ClN5O2S/c1-12-16(17(20)25(24-12)15-8-3-2-4-9-15)11-21-23-19(28)22-14-7-5-6-13(10-14)18(26)27/h2-11H,1H3,(H,26,27)(H2,22,23,28)/p-1/b21-11-