2-(phenylcarbamothioylsulfanyldiazenyl)benzoic acid

Systemtic Name: 2-(phenylcarbamothioylsulfanyldiazenyl)benzoic acid Openeye Name: 2-(phenylcarbamothioylsulfanylazo)benzoic acid CAS Name: 2-[[anilino(sulfanylidene)methyl]thio]azobenzoic acid IUPAC Name: 2-(phenylcarbamothioylsulfanyldiazenyl)benzoic acid Traditional Name: 2-(phenylthiocarbamoylthio)azobenzoic acid Formula: C14H11N3O2S2 MolecularWeight: 317.38604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)SN=NC2=CC=CC=C2C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)SN=NC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C14H11N3O2S2/c18-13(19)11-8-4-5-9-12(11)16-17-21-14(20)15-10-6-2-1-3-7-10/h1-9H,(H,15,20)(H,18,19)