4-[2-[(E)-(carbamothioylhydrazinylidene)methyl]pyrrol-1-yl]benzoic acid

Systemtic Name: 4-[2-[(E)-(carbamothioylhydrazinylidene)methyl]pyrrol-1-yl]benzoic acid Openeye Name: 4-[2-[(E)-(carbamothioylhydrazono)methyl]pyrrol-1-yl]benzoic acid CAS Name: 4-[2-[(E)-(carbamothioylhydrazinylidene)methyl]-1-pyrrolyl]benzoic acid IUPAC Name: 4-[2-[(E)-(carbamothioylhydrazinylidene)methyl]pyrrol-1-yl]benzoic acid Traditional Name: 4-[2-[(E)-(thiocarbamoylhydrazono)methyl]pyrrol-1-yl]benzoic acid Formula: C13H12N4O2S MolecularWeight: 288.32498

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=C1)C=NNC(=S)N)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=CN(C(=C1)/C=N/NC(=S)N)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H12N4O2S/c14-13(20)16-15-8-11-2-1-7-17(11)10-5-3-9(4-6-10)12(18)19/h1-8H,(H,18,19)(H3,14,16,20)/b15-8+