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4-[(E)-(1,3-benzodioxol-5-ylmethylcarbamothioylhydrazinylidene)methyl]benzoic acid
4-[(E)-(1,3-benzodioxol-5-ylmethylcarbamothioylhydrazinylidene)methyl]benzoic acid
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Descriptors Computed from Structure
Canonical SMILES:
C1OC2=C(O1)C=C(C=C2)CNC(=S)NN=CC3=CC=C(C=C3)C(=O)O
Isomeric SMILES
C1OC2=C(O1)C=C(C=C2)CNC(=S)N/N=C/C3=CC=C(C=C3)C(=O)O
InChI
InChI=1S/C17H15N3O4S/c21-16(22)13-4-1-11(2-5-13)9-19-20-17(25)18-8-12-3-6-14-15(7-12)24-10-23-14/h1-7,9H,8,10H2,(H,21,22)(H2,18,20,25)/b19-9+
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