sodium 4-(2-imidazol-1-yl-1-thiophen-2-yl-ethyl)sulfanylbenzoate

Systemtic Name: sodium 4-(2-imidazol-1-yl-1-thiophen-2-yl-ethyl)sulfanylbenzoate Openeye Name: sodium 4-[2-imidazol-1-yl-1-(2-thienyl)ethyl]sulfanylbenzoate CAS Name: sodium 4-[[2-(1-imidazolyl)-1-thiophen-2-ylethyl]thio]benzoate IUPAC Name: sodium 4-(2-imidazol-1-yl-1-thiophen-2-ylethyl)sulfanylbenzoate Traditional Name: sodium 4-[[2-imidazol-1-yl-1-(2-thienyl)ethyl]thio]benzoate Formula: C16H13N2NaO2S2 MolecularWeight: 352.40639

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(CN2C=CN=C2)SC3=CC=C(C=C3)C(=O)[O-].[Na+]

Isomeric SMILES

C1=CSC(=C1)C(CN2C=CN=C2)SC3=CC=C(C=C3)C(=O)[O-].[Na+]

InChI

InChI=1S/C16H14N2O2S2.Na/c19-16(20)12-3-5-13(6-4-12)22-15(14-2-1-9-21-14)10-18-8-7-17-11-18;/h1-9,11,15H,10H2,(H,19,20);/q;+1/p-1