1-[4-(2,4-dichlorophenyl)-4-pentylsulfanyl-butyl]imidazole; ethanedioic acid

Systemtic Name: 1-[4-(2,4-dichlorophenyl)-4-pentylsulfanyl-butyl]imidazole; ethanedioic acid Openeye Name: 1-[4-(2,4-dichlorophenyl)-4-pentylsulfanyl-butyl]imidazole; oxalic acid CAS Name: 1-[4-(2,4-dichlorophenyl)-4-(pentylthio)butyl]imidazole; oxalic acid IUPAC Name: 1-[4-(2,4-dichlorophenyl)-4-pentylsulfanylbutyl]imidazole; oxalic acid Traditional Name: 1-[4-(amylthio)-4-(2,4-dichlorophenyl)butyl]imidazole; oxalic acid Formula: C20H26Cl2N2O4S MolecularWeight: 461.40244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC(CCCN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCCSC(CCCN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H24Cl2N2S.C2H2O4/c1-2-3-4-12-23-18(6-5-10-22-11-9-21-14-22)16-8-7-15(19)13-17(16)20;3-1(4)2(5)6/h7-9,11,13-14,18H,2-6,10,12H2,1H3;(H,3,4)(H,5,6)