2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-1-(1H-indol-3-yl)propan-1-one

Systemtic Name: 2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-1-(1H-indol-3-yl)propan-1-one Openeye Name: 2-[4,5-dimethyl-1-(tetrahydrofuran-2-ylmethyl)imidazol-2-yl]sulfanyl-1-(1H-indol-3-yl)propan-1-one CAS Name: 2-[[4,5-dimethyl-1-(2-oxolanylmethyl)-2-imidazolyl]thio]-1-(1H-indol-3-yl)-1-propanone IUPAC Name: 2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-1-(1H-indol-3-yl)propan-1-one Traditional Name: 2-[[4,5-dimethyl-1-(tetrahydrofurfuryl)imidazol-2-yl]thio]-1-(1H-indol-3-yl)propan-1-one Formula: C21H25N3O2S MolecularWeight: 383.5071

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)SC(C)C(=O)C2=CNC3=CC=CC=C32)CC4CCCO4)C

Isomeric SMILES

CC1=C(N(C(=N1)SC(C)C(=O)C2=CNC3=CC=CC=C32)CC4CCCO4)C

InChI

InChI=1S/C21H25N3O2S/c1-13-14(2)24(12-16-7-6-10-26-16)21(23-13)27-15(3)20(25)18-11-22-19-9-5-4-8-17(18)19/h4-5,8-9,11,15-16,22H,6-7,10,12H2,1-3H3