3-[[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]carbamothioylamino]benzoic acid

Systemtic Name: 3-[[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]carbamothioylamino]benzoic acid Openeye Name: 3-[[(E)-(1,3-dimethylpyrazol-4-yl)methyleneamino]carbamothioylamino]benzoic acid CAS Name: 3-[[[(2E)-2-[(1,3-dimethyl-4-pyrazolyl)methylidene]hydrazinyl]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]carbamothioylamino]benzoic acid Traditional Name: 3-[[(E)-(1,3-dimethylpyrazol-4-yl)methyleneamino]thiocarbamoylamino]benzoic acid Formula: C14H15N5O2S MolecularWeight: 317.3662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C=NNC(=S)NC2=CC=CC(=C2)C(=O)O)C

Isomeric SMILES

CC1=NN(C=C1/C=N/NC(=S)NC2=CC=CC(=C2)C(=O)O)C

InChI

InChI=1S/C14H15N5O2S/c1-9-11(8-19(2)18-9)7-15-17-14(22)16-12-5-3-4-10(6-12)13(20)21/h3-8H,1-2H3,(H,20,21)(H2,16,17,22)/b15-7+