N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[1-(3-chloranyl-2-methyl-phenyl)imidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[1-(3-chloranyl-2-methyl-phenyl)imidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[1-(3-chloro-2-methyl-phenyl)imidazol-2-yl]sulfanyl-acetamide CAS Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[[1-(3-chloro-2-methylphenyl)-2-imidazolyl]thio]acetamide IUPAC Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanylacetamide Traditional Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[[1-(3-chloro-2-methyl-phenyl)imidazol-2-yl]thio]acetamide Formula: C20H17BrClN3O3S MolecularWeight: 494.78928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C=CN=C2SCC(=O)NC3=CC4=C(C=C3Br)OCCO4

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C=CN=C2SCC(=O)NC3=CC4=C(C=C3Br)OCCO4

InChI

InChI=1S/C20H17BrClN3O3S/c1-12-14(22)3-2-4-16(12)25-6-5-23-20(25)29-11-19(26)24-15-10-18-17(9-13(15)21)27-7-8-28-18/h2-6,9-10H,7-8,11H2,1H3,(H,24,26)