4-[(3Z)-3-[(2-carbamothioylhydrazinyl)methylidene]-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]benzoic acid

Systemtic Name: 4-[(3Z)-3-[(2-carbamothioylhydrazinyl)methylidene]-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]benzoic acid Openeye Name: 4-[(3Z)-3-[(2-carbamothioylhydrazino)methylene]-4-oxo-cyclohexa-1,5-dien-1-yl]benzoic acid CAS Name: 4-[(3Z)-3-[(carbamothioylhydrazo)methylidene]-4-oxo-1-cyclohexa-1,5-dienyl]benzoic acid IUPAC Name: 4-[(3Z)-3-[(2-carbamothioylhydrazinyl)methylidene]-4-oxocyclohexa-1,5-dien-1-yl]benzoic acid Traditional Name: 4-[(3Z)-4-keto-3-[(N'-thiocarbamoylhydrazino)methylene]cyclohexa-1,5-dien-1-yl]benzoic acid Formula: C15H13N3O3S MolecularWeight: 315.34702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC(=CNNC(=S)N)C(=O)C=C2)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=C/C(=C/NNC(=S)N)/C(=O)C=C2)C(=O)O

InChI

InChI=1S/C15H13N3O3S/c16-15(22)18-17-8-12-7-11(5-6-13(12)19)9-1-3-10(4-2-9)14(20)21/h1-8,17H,(H,20,21)(H3,16,18,22)/b12-8-