1-[4-(4-tert-butylphenyl)-4-methylsulfanyl-butyl]imidazole; ethanedioic acid

Systemtic Name: 1-[4-(4-tert-butylphenyl)-4-methylsulfanyl-butyl]imidazole; ethanedioic acid Openeye Name: 1-[4-(4-tert-butylphenyl)-4-methylsulfanyl-butyl]imidazole; oxalic acid CAS Name: 1-[4-(4-tert-butylphenyl)-4-(methylthio)butyl]imidazole; oxalic acid IUPAC Name: 1-[4-(4-tert-butylphenyl)-4-methylsulfanylbutyl]imidazole; oxalic acid Traditional Name: 1-[4-(4-tert-butylphenyl)-4-(methylthio)butyl]imidazole; oxalic acid Formula: C20H28N2O4S MolecularWeight: 392.51232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(CCCN2C=CN=C2)SC.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(CCCN2C=CN=C2)SC.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H26N2S.C2H2O4/c1-18(2,3)16-9-7-15(8-10-16)17(21-4)6-5-12-20-13-11-19-14-20;3-1(4)2(5)6/h7-11,13-14,17H,5-6,12H2,1-4H3;(H,3,4)(H,5,6)