N-[2-acetamido-4-[1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethyl]sulfanyl-phenyl]ethanamide

Systemtic Name: N-[2-acetamido-4-[1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethyl]sulfanyl-phenyl]ethanamide Openeye Name: N-[2-acetamido-4-[1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethyl]sulfanyl-phenyl]acetamide CAS Name: N-[2-acetamido-4-[[1-(2,4-dichlorophenyl)-2-(1-imidazolyl)ethyl]thio]phenyl]acetamide IUPAC Name: N-[2-acetamido-4-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl]sulfanylphenyl]acetamide Traditional Name: N-[2-acetamido-4-[[1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethyl]thio]phenyl]acetamide Formula: C21H20Cl2N4O2S MolecularWeight: 463.3801

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)SC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)NC(=O)C

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)SC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)NC(=O)C

InChI

InChI=1S/C21H20Cl2N4O2S/c1-13(28)25-19-6-4-16(10-20(19)26-14(2)29)30-21(11-27-8-7-24-12-27)17-5-3-15(22)9-18(17)23/h3-10,12,21H,11H2,1-2H3,(H,25,28)(H,26,29)