2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,3-dimethylindol-1-yl)ethanone

Systemtic Name: 2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,3-dimethylindol-1-yl)ethanone Openeye Name: 2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,3-dimethylindol-1-yl)ethanone CAS Name: 2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-(2,3-dimethyl-1-indolyl)ethanone IUPAC Name: 2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,3-dimethylindol-1-yl)ethanone Traditional Name: 2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-(2,3-dimethylindol-1-yl)ethanone Formula: C26H28N4OS MolecularWeight: 444.59172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=CC=CC=C12)C(=O)CSC3=NN=C(N3C4CCCCC4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(N(C2=CC=CC=C12)C(=O)CSC3=NN=C(N3C4CCCCC4)C5=CC=CC=C5)C

InChI

InChI=1S/C26H28N4OS/c1-18-19(2)29(23-16-10-9-15-22(18)23)24(31)17-32-26-28-27-25(20-11-5-3-6-12-20)30(26)21-13-7-4-8-14-21/h3,5-6,9-12,15-16,21H,4,7-8,13-14,17H2,1-2H3