1-[3-(4-chlorophenyl)sulfanyloctyl]imidazole; ethanedioic acid

Systemtic Name: 1-[3-(4-chlorophenyl)sulfanyloctyl]imidazole; ethanedioic acid Openeye Name: 1-[3-(4-chlorophenyl)sulfanyloctyl]imidazole; oxalic acid CAS Name: 1-[3-[(4-chlorophenyl)thio]octyl]imidazole; oxalic acid IUPAC Name: 1-[3-(4-chlorophenyl)sulfanyloctyl]imidazole; oxalic acid Traditional Name: 1-[3-[(4-chlorophenyl)thio]octyl]imidazole; oxalic acid Formula: C19H25ClN2O4S MolecularWeight: 412.9308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCN1C=CN=C1)SC2=CC=C(C=C2)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCCC(CCN1C=CN=C1)SC2=CC=C(C=C2)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H23ClN2S.C2H2O4/c1-2-3-4-5-16(10-12-20-13-11-19-14-20)21-17-8-6-15(18)7-9-17;3-1(4)2(5)6/h6-9,11,13-14,16H,2-5,10,12H2,1H3;(H,3,4)(H,5,6)