2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4,5-trimethylphenyl)ethanone

Systemtic Name: 2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4,5-trimethylphenyl)ethanone Openeye Name: 2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2,4,5-trimethylphenyl)ethanone CAS Name: 2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-(2,4,5-trimethylphenyl)ethanone IUPAC Name: 2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4,5-trimethylphenyl)ethanone Traditional Name: 2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(2,4,5-trimethylphenyl)ethanone Formula: C21H24N4OS MolecularWeight: 380.50646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)C2=CC(=C(C=C2C)C)C)C3=CC=NC=C3

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)C2=CC(=C(C=C2C)C)C)C3=CC=NC=C3

InChI

InChI=1S/C21H24N4OS/c1-5-10-25-20(17-6-8-22-9-7-17)23-24-21(25)27-13-19(26)18-12-15(3)14(2)11-16(18)4/h6-9,11-12H,5,10,13H2,1-4H3