5-[[2-sulfanylidene-3-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazol-1-yl]methyl]pyridine-2-carboxylic acid

Systemtic Name: 5-[[2-sulfanylidene-3-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazol-1-yl]methyl]pyridine-2-carboxylic acid Openeye Name: 5-[(3-tetralin-2-yl-2-thioxo-imidazol-1-yl)methyl]pyridine-2-carboxylic acid CAS Name: 5-[[2-sulfanylidene-3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1-imidazolyl]methyl]-2-pyridinecarboxylic acid IUPAC Name: 5-[[2-sulfanylidene-3-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazol-1-yl]methyl]pyridine-2-carboxylic acid Traditional Name: 5-[(3-tetralin-2-yl-2-thioxo-4-imidazolin-1-yl)methyl]picolinic acid Formula: C20H19N3O2S MolecularWeight: 365.44876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O2S/c24-19(25)18-8-5-14(12-21-18)13-22-9-10-23(20(22)26)17-7-6-15-3-1-2-4-16(15)11-17/h1-5,8-10,12,17H,6-7,11,13H2,(H,24,25)