4-(2-imidazol-1-yl-1-thiophen-2-yl-ethyl)sulfanylbenzoic acid

Systemtic Name: 4-(2-imidazol-1-yl-1-thiophen-2-yl-ethyl)sulfanylbenzoic acid Openeye Name: 4-[2-imidazol-1-yl-1-(2-thienyl)ethyl]sulfanylbenzoic acid CAS Name: 4-[[2-(1-imidazolyl)-1-thiophen-2-ylethyl]thio]benzoic acid IUPAC Name: 4-(2-imidazol-1-yl-1-thiophen-2-ylethyl)sulfanylbenzoic acid Traditional Name: 4-[[2-imidazol-1-yl-1-(2-thienyl)ethyl]thio]benzoic acid Formula: C16H14N2O2S2 MolecularWeight: 330.42456

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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

Isomeric SMILES

C1=CSC(=C1)C(CN2C=CN=C2)SC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H14N2O2S2/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)