2-[[2-(4-methylphenyl)-1,3-selenazol-4-yl]methylsulfanyl]benzoic acid

Systemtic Name: 2-[[2-(4-methylphenyl)-1,3-selenazol-4-yl]methylsulfanyl]benzoic acid Openeye Name: 2-[[2-(p-tolyl)-1,3-selenazol-4-yl]methylsulfanyl]benzoic acid CAS Name: 2-[[2-(4-methylphenyl)-4-selenazolyl]methylthio]benzoic acid IUPAC Name: 2-[[2-(4-methylphenyl)-1,3-selenazol-4-yl]methylsulfanyl]benzoic acid Traditional Name: 2-[[2-(p-tolyl)selenazol-4-yl]methylthio]benzoic acid Formula: C18H15NO2SSe MolecularWeight: 388.3422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C[Se]2)CSC3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C[Se]2)CSC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C18H15NO2SSe/c1-12-6-8-13(9-7-12)17-19-14(11-23-17)10-22-16-5-3-2-4-15(16)18(20)21/h2-9,11H,10H2,1H3,(H,20,21)