4-[6-(dimethylphosphinothioylmethyl)-2-sulfanylidene-3H-benzimidazol-1-yl]benzoic acid

Systemtic Name: 4-[6-(dimethylphosphinothioylmethyl)-2-sulfanylidene-3H-benzimidazol-1-yl]benzoic acid Openeye Name: 4-[6-(dimethylphosphinothioylmethyl)-2-thioxo-3H-benzimidazol-1-yl]benzoic acid CAS Name: 4-[6-(dimethylphosphinothioylmethyl)-2-sulfanylidene-3H-benzimidazol-1-yl]benzoic acid IUPAC Name: 4-[6-(dimethylphosphinothioylmethyl)-2-sulfanylidene-3H-benzimidazol-1-yl]benzoic acid Traditional Name: 4-[6-(dimethylthiophosphorylmethyl)-2-thioxo-3H-benzimidazol-1-yl]benzoic acid Formula: C17H17N2O2PS2 MolecularWeight: 376.432841

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Descriptors Computed from Structure

Canonical SMILES:

CP(=S)(C)CC1=CC2=C(C=C1)NC(=S)N2C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CP(=S)(C)CC1=CC2=C(C=C1)NC(=S)N2C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H17N2O2PS2/c1-22(2,24)10-11-3-8-14-15(9-11)19(17(23)18-14)13-6-4-12(5-7-13)16(20)21/h3-9H,10H2,1-2H3,(H,18,23)(H,20,21)