4-(2-bromanyl-4-ethyl-phenoxy)-1-(2-ethylsulfanylbenzimidazol-1-yl)butan-1-one

Systemtic Name: 4-(2-bromanyl-4-ethyl-phenoxy)-1-(2-ethylsulfanylbenzimidazol-1-yl)butan-1-one Openeye Name: 4-(2-bromo-4-ethyl-phenoxy)-1-(2-ethylsulfanylbenzimidazol-1-yl)butan-1-one CAS Name: 4-(2-bromo-4-ethylphenoxy)-1-[2-(ethylthio)-1-benzimidazolyl]-1-butanone IUPAC Name: 4-(2-bromo-4-ethylphenoxy)-1-(2-ethylsulfanylbenzimidazol-1-yl)butan-1-one Traditional Name: 4-(2-bromo-4-ethyl-phenoxy)-1-[2-(ethylthio)benzimidazol-1-yl]butan-1-one Formula: C21H23BrN2O2S MolecularWeight: 447.38852

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCCCC(=O)N2C3=CC=CC=C3N=C2SCC)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCCCC(=O)N2C3=CC=CC=C3N=C2SCC)Br

InChI

InChI=1S/C21H23BrN2O2S/c1-3-15-11-12-19(16(22)14-15)26-13-7-10-20(25)24-18-9-6-5-8-17(18)23-21(24)27-4-2/h5-6,8-9,11-12,14H,3-4,7,10,13H2,1-2H3