4-[2-(diphenylmethyl)oxyethylsulfanylmethyl]-5-methyl-1H-imidazole; ethanedioic acid

Systemtic Name: 4-[2-(diphenylmethyl)oxyethylsulfanylmethyl]-5-methyl-1H-imidazole; ethanedioic acid Openeye Name: 4-(2-benzhydryloxyethylsulfanylmethyl)-5-methyl-1H-imidazole; oxalic acid CAS Name: 4-[[2-(diphenylmethyl)oxyethylthio]methyl]-5-methyl-1H-imidazole; oxalic acid IUPAC Name: 4-(2-benzhydryloxyethylsulfanylmethyl)-5-methyl-1H-imidazole; oxalic acid Traditional Name: 4-[(2-benzhydryloxyethylthio)methyl]-5-methyl-1H-imidazole; oxalic acid Formula: C42H46N4O6S2 MolecularWeight: 766.96784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSCCOC(C2=CC=CC=C2)C3=CC=CC=C3.CC1=C(N=CN1)CSCCOC(C2=CC=CC=C2)C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(N=CN1)CSCCOC(C2=CC=CC=C2)C3=CC=CC=C3.CC1=C(N=CN1)CSCCOC(C2=CC=CC=C2)C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/2C20H22N2OS.C2H2O4/c2*1-16-19(22-15-21-16)14-24-13-12-23-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;3-1(4)2(5)6/h2*2-11,15,20H,12-14H2,1H3,(H,21,22);(H,3,4)(H,5,6)