1-[2,3-bis[(4-methylphenyl)methylsulfanyl]propyl]imidazole; ethanedioic acid

Systemtic Name: 1-[2,3-bis[(4-methylphenyl)methylsulfanyl]propyl]imidazole; ethanedioic acid Openeye Name: 1-[2,3-bis(p-tolylmethylsulfanyl)propyl]imidazole; oxalic acid CAS Name: 1-[2,3-bis[(4-methylphenyl)methylthio]propyl]imidazole; oxalic acid IUPAC Name: 1-[2,3-bis[(4-methylphenyl)methylsulfanyl]propyl]imidazole; oxalic acid Traditional Name: 1-[2,3-bis[(4-methylbenzyl)thio]propyl]imidazole; oxalic acid Formula: C24H28N2O4S2 MolecularWeight: 472.62012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCC(CN2C=CN=C2)SCC3=CC=C(C=C3)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)CSCC(CN2C=CN=C2)SCC3=CC=C(C=C3)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H26N2S2.C2H2O4/c1-18-3-7-20(8-4-18)14-25-16-22(13-24-12-11-23-17-24)26-15-21-9-5-19(2)6-10-21;3-1(4)2(5)6/h3-12,17,22H,13-16H2,1-2H3;(H,3,4)(H,5,6)