3-[[2-sulfanylidene-3-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazol-1-yl]methyl]benzoic acid

Systemtic Name: 3-[[2-sulfanylidene-3-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazol-1-yl]methyl]benzoic acid Openeye Name: 3-[(3-tetralin-2-yl-2-thioxo-imidazol-1-yl)methyl]benzoic acid CAS Name: 3-[[2-sulfanylidene-3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1-imidazolyl]methyl]benzoic acid IUPAC Name: 3-[[2-sulfanylidene-3-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazol-1-yl]methyl]benzoic acid Traditional Name: 3-[(3-tetralin-2-yl-2-thioxo-4-imidazolin-1-yl)methyl]benzoic acid Formula: C21H20N2O2S MolecularWeight: 364.4607

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2CC1N3C=CN(C3=S)CC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1CC2=CC=CC=C2CC1N3C=CN(C3=S)CC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C21H20N2O2S/c24-20(25)18-7-3-4-15(12-18)14-22-10-11-23(21(22)26)19-9-8-16-5-1-2-6-17(16)13-19/h1-7,10-12,19H,8-9,13-14H2,(H,24,25)