1-[3-(4-tert-butylphenyl)-3-pentylsulfanyl-propyl]imidazole; ethanedioic acid

Systemtic Name: 1-[3-(4-tert-butylphenyl)-3-pentylsulfanyl-propyl]imidazole; ethanedioic acid Openeye Name: 1-[3-(4-tert-butylphenyl)-3-pentylsulfanyl-propyl]imidazole; oxalic acid CAS Name: 1-[3-(4-tert-butylphenyl)-3-(pentylthio)propyl]imidazole; oxalic acid IUPAC Name: 1-[3-(4-tert-butylphenyl)-3-pentylsulfanylpropyl]imidazole; oxalic acid Traditional Name: 1-[3-(amylthio)-3-(4-tert-butylphenyl)propyl]imidazole; oxalic acid Formula: C23H34N2O4S MolecularWeight: 434.59206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC(CCN1C=CN=C1)C2=CC=C(C=C2)C(C)(C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCCSC(CCN1C=CN=C1)C2=CC=C(C=C2)C(C)(C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H32N2S.C2H2O4/c1-5-6-7-16-24-20(12-14-23-15-13-22-17-23)18-8-10-19(11-9-18)21(2,3)4;3-1(4)2(5)6/h8-11,13,15,17,20H,5-7,12,14,16H2,1-4H3;(H,3,4)(H,5,6)