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

Systemtic Name: 4-[[5-methyl-2-sulfanylidene-3-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazol-1-yl]methyl]benzoic acid Openeye Name: 4-[(5-methyl-3-tetralin-2-yl-2-thioxo-imidazol-1-yl)methyl]benzoic acid CAS Name: 4-[[5-methyl-2-sulfanylidene-3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1-imidazolyl]methyl]benzoic acid IUPAC Name: 4-[[5-methyl-2-sulfanylidene-3-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazol-1-yl]methyl]benzoic acid Traditional Name: 4-[(5-methyl-3-tetralin-2-yl-2-thioxo-4-imidazolin-1-yl)methyl]benzoic acid Formula: C22H22N2O2S MolecularWeight: 378.48728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=S)N1CC2=CC=C(C=C2)C(=O)O)C3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=CN(C(=S)N1CC2=CC=C(C=C2)C(=O)O)C3CCC4=CC=CC=C4C3

InChI

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