2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-indol-3-yl)propan-1-one

Systemtic Name: 2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-indol-3-yl)propan-1-one Openeye Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-indol-3-yl)propan-1-one CAS Name: 2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-(1H-indol-3-yl)-1-propanone IUPAC Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-indol-3-yl)propan-1-one Traditional Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)thio]-1-(1H-indol-3-yl)propan-1-one Formula: C22H22N4OS MolecularWeight: 390.50128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)C2=CNC3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)C2=CNC3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C22H22N4OS/c1-3-26-20(13-16-9-5-4-6-10-16)24-25-22(26)28-15(2)21(27)18-14-23-19-12-8-7-11-17(18)19/h4-12,14-15,23H,3,13H2,1-2H3