S-[2-imidazol-1-yl-1-(2,4,6-trimethylphenyl)ethyl] heptanethioate

Systemtic Name: S-[2-imidazol-1-yl-1-(2,4,6-trimethylphenyl)ethyl] heptanethioate Openeye Name: S-[2-imidazol-1-yl-1-(2,4,6-trimethylphenyl)ethyl] heptanethioate CAS Name: heptanethioic acid S-[2-(1-imidazolyl)-1-(2,4,6-trimethylphenyl)ethyl] ester IUPAC Name: S-[2-imidazol-1-yl-1-(2,4,6-trimethylphenyl)ethyl] heptanethioate Traditional Name: heptanethioic acid S-(2-imidazol-1-yl-1-mesityl-ethyl) ester Formula: C21H30N2OS MolecularWeight: 358.5407

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)SC(CN1C=CN=C1)C2=C(C=C(C=C2C)C)C

Isomeric SMILES

CCCCCCC(=O)SC(CN1C=CN=C1)C2=C(C=C(C=C2C)C)C

InChI

InChI=1S/C21H30N2OS/c1-5-6-7-8-9-20(24)25-19(14-23-11-10-22-15-23)21-17(3)12-16(2)13-18(21)4/h10-13,15,19H,5-9,14H2,1-4H3