1-[2,3-bis(phenylmethylsulfanyl)propyl]imidazole; ethanedioic acid

Systemtic Name: 1-[2,3-bis(phenylmethylsulfanyl)propyl]imidazole; ethanedioic acid Openeye Name: 1-[2,3-bis(benzylsulfanyl)propyl]imidazole; oxalic acid CAS Name: 1-[2,3-bis(phenylmethylthio)propyl]imidazole; oxalic acid IUPAC Name: 1-[2,3-bis(benzylsulfanyl)propyl]imidazole; oxalic acid Traditional Name: 1-[2,3-bis(benzylthio)propyl]imidazole; oxalic acid Formula: C22H24N2O4S2 MolecularWeight: 444.56696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2S2.C2H2O4/c1-3-7-18(8-4-1)14-23-16-20(13-22-12-11-21-17-22)24-15-19-9-5-2-6-10-19;3-1(4)2(5)6/h1-12,17,20H,13-16H2;(H,3,4)(H,5,6)