1-[4-(4-chlorophenyl)-2-hexylsulfanyl-butyl]imidazole; ethanedioic acid

Systemtic Name: 1-[4-(4-chlorophenyl)-2-hexylsulfanyl-butyl]imidazole; ethanedioic acid Openeye Name: 1-[4-(4-chlorophenyl)-2-hexylsulfanyl-butyl]imidazole; oxalic acid CAS Name: 1-[4-(4-chlorophenyl)-2-(hexylthio)butyl]imidazole; oxalic acid IUPAC Name: 1-[4-(4-chlorophenyl)-2-hexylsulfanylbutyl]imidazole; oxalic acid Traditional Name: 1-[4-(4-chlorophenyl)-2-(hexylthio)butyl]imidazole; oxalic acid Formula: C21H29ClN2O4S MolecularWeight: 440.98396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC(CCC1=CC=C(C=C1)Cl)CN2C=CN=C2.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCCCSC(CCC1=CC=C(C=C1)Cl)CN2C=CN=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H27ClN2S.C2H2O4/c1-2-3-4-5-14-23-19(15-22-13-12-21-16-22)11-8-17-6-9-18(20)10-7-17;3-1(4)2(5)6/h6-7,9-10,12-13,16,19H,2-5,8,11,14-15H2,1H3;(H,3,4)(H,5,6)