1-[3-(2,4-dimethylphenyl)-3-heptylsulfanyl-propyl]imidazole

Systemtic Name: 1-[3-(2,4-dimethylphenyl)-3-heptylsulfanyl-propyl]imidazole Openeye Name: 1-[3-(2,4-dimethylphenyl)-3-heptylsulfanyl-propyl]imidazole CAS Name: 1-[3-(2,4-dimethylphenyl)-3-(heptylthio)propyl]imidazole IUPAC Name: 1-[3-(2,4-dimethylphenyl)-3-heptylsulfanylpropyl]imidazole Traditional Name: 1-[3-(2,4-dimethylphenyl)-3-(heptylthio)propyl]imidazole Formula: C21H32N2S MolecularWeight: 344.55718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC(CCN1C=CN=C1)C2=C(C=C(C=C2)C)C

Isomeric SMILES

CCCCCCCSC(CCN1C=CN=C1)C2=C(C=C(C=C2)C)C

InChI

InChI=1S/C21H32N2S/c1-4-5-6-7-8-15-24-21(11-13-23-14-12-22-17-23)20-10-9-18(2)16-19(20)3/h9-10,12,14,16-17,21H,4-8,11,13,15H2,1-3H3