3-[[(E)-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methylideneamino]carbamothioylamino]benzoic acid

Systemtic Name: 3-[[(E)-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methylideneamino]carbamothioylamino]benzoic acid Openeye Name: 3-[[(E)-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyleneamino]carbamothioylamino]benzoic acid CAS Name: 3-[[[(2E)-2-[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methylidene]hydrazinyl]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[[(E)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]carbamothioylamino]benzoic acid Traditional Name: 3-[[(E)-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyleneamino]thiocarbamoylamino]benzoic acid Formula: C16H19N5O2S MolecularWeight: 345.41936

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)C=NNC(=S)NC2=CC=CC(=C2)C(=O)O)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)/C=N/NC(=S)NC2=CC=CC(=C2)C(=O)O)C

InChI

InChI=1S/C16H19N5O2S/c1-4-21-11(3)14(10(2)20-21)9-17-19-16(24)18-13-7-5-6-12(8-13)15(22)23/h5-9H,4H2,1-3H3,(H,22,23)(H2,18,19,24)/b17-9+