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

Systemtic Name: methyl 3-[[2-sulfanylidene-3-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazol-1-yl]methyl]benzoate Openeye Name: methyl 3-[(3-tetralin-2-yl-2-thioxo-imidazol-1-yl)methyl]benzoate CAS Name: 3-[[2-sulfanylidene-3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1-imidazolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-sulfanylidene-3-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazol-1-yl]methyl]benzoate Traditional Name: 3-[(3-tetralin-2-yl-2-thioxo-4-imidazolin-1-yl)methyl]benzoic acid methyl ester Formula: C22H22N2O2S MolecularWeight: 378.48728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O2S/c1-26-21(25)19-8-4-5-16(13-19)15-23-11-12-24(22(23)27)20-10-9-17-6-2-3-7-18(17)14-20/h2-8,11-13,20H,9-10,14-15H2,1H3