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

Systemtic Name: methyl 5-[[2-sulfanylidene-3-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazol-1-yl]methyl]pyridine-2-carboxylate Openeye Name: methyl 5-[(3-tetralin-2-yl-2-thioxo-imidazol-1-yl)methyl]pyridine-2-carboxylate CAS Name: 5-[[2-sulfanylidene-3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1-imidazolyl]methyl]-2-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-[[2-sulfanylidene-3-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazol-1-yl]methyl]pyridine-2-carboxylate Traditional Name: 5-[(3-tetralin-2-yl-2-thioxo-4-imidazolin-1-yl)methyl]picolinic acid methyl ester Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC=C(C=C1)CN2C=CN(C2=S)C3CCC4=CC=CC=C4C3

Isomeric SMILES

COC(=O)C1=NC=C(C=C1)CN2C=CN(C2=S)C3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H21N3O2S/c1-26-20(25)19-9-6-15(13-22-19)14-23-10-11-24(21(23)27)18-8-7-16-4-2-3-5-17(16)12-18/h2-6,9-11,13,18H,7-8,12,14H2,1H3