(4-chloranylphenoxy)sulfanyl-[2-imidazol-1-yl-1-(2,4,6-trimethylphenyl)ethyl]sulfanyl-methanone

Systemtic Name: (4-chloranylphenoxy)sulfanyl-[2-imidazol-1-yl-1-(2,4,6-trimethylphenyl)ethyl]sulfanyl-methanone Openeye Name: (4-chlorophenoxy)sulfanyl-[2-imidazol-1-yl-1-(2,4,6-trimethylphenyl)ethyl]sulfanyl-methanone CAS Name: [[2-(1-imidazolyl)-1-(2,4,6-trimethylphenyl)ethyl]thio]-oxomethanesulfenic acid (4-chlorophenyl) ester IUPAC Name: (4-chlorophenoxy)sulfanyl-[2-imidazol-1-yl-1-(2,4,6-trimethylphenyl)ethyl]sulfanylmethanone Traditional Name: [(4-chlorophenoxy)thio]-[(2-imidazol-1-yl-1-mesityl-ethyl)thio]methanone Formula: C21H21ClN2O2S2 MolecularWeight: 432.98664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(CN2C=CN=C2)SC(=O)SOC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(CN2C=CN=C2)SC(=O)SOC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C21H21ClN2O2S2/c1-14-10-15(2)20(16(3)11-14)19(12-24-9-8-23-13-24)27-21(25)28-26-18-6-4-17(22)5-7-18/h4-11,13,19H,12H2,1-3H3