1-(4-bromophenyl)-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]butan-1-one

Systemtic Name: 1-(4-bromophenyl)-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]butan-1-one Openeye Name: 1-(4-bromophenyl)-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]butan-1-one CAS Name: 1-(4-bromophenyl)-4-[(6-methoxy-1H-benzimidazol-2-yl)thio]-1-butanone IUPAC Name: 1-(4-bromophenyl)-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]butan-1-one Traditional Name: 1-(4-bromophenyl)-4-[(6-methoxy-1H-benzimidazol-2-yl)thio]butan-1-one Formula: C18H17BrN2O2S MolecularWeight: 405.30878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N2)SCCCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N2)SCCCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H17BrN2O2S/c1-23-14-8-9-15-16(11-14)21-18(20-15)24-10-2-3-17(22)12-4-6-13(19)7-5-12/h4-9,11H,2-3,10H2,1H3,(H,20,21)