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

Systemtic Name: 1-[4-(4-chlorophenyl)-4-heptylsulfanyl-butyl]imidazole; ethanedioic acid Openeye Name: 1-[4-(4-chlorophenyl)-4-heptylsulfanyl-butyl]imidazole; oxalic acid CAS Name: 1-[4-(4-chlorophenyl)-4-(heptylthio)butyl]imidazole; oxalic acid IUPAC Name: 1-[4-(4-chlorophenyl)-4-heptylsulfanylbutyl]imidazole; oxalic acid Traditional Name: 1-[4-(4-chlorophenyl)-4-(heptylthio)butyl]imidazole; oxalic acid Formula: C22H31ClN2O4S MolecularWeight: 455.01054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC(CCCN1C=CN=C1)C2=CC=C(C=C2)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCCCCSC(CCCN1C=CN=C1)C2=CC=C(C=C2)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H29ClN2S.C2H2O4/c1-2-3-4-5-6-16-24-20(18-9-11-19(21)12-10-18)8-7-14-23-15-13-22-17-23;3-1(4)2(5)6/h9-13,15,17,20H,2-8,14,16H2,1H3;(H,3,4)(H,5,6)