4-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)butanamide

Systemtic Name: 4-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)butanamide Openeye Name: 4-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)butanamide CAS Name: 4-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-N-(2,4,6-trimethylphenyl)butanamide IUPAC Name: 4-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)butanamide Traditional Name: N-mesityl-4-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]butyramide Formula: C21H25N5OS MolecularWeight: 395.5211

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)CCCSC2=NN=C(N2C)C3=CC=NC=C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)CCCSC2=NN=C(N2C)C3=CC=NC=C3)C

InChI

InChI=1S/C21H25N5OS/c1-14-12-15(2)19(16(3)13-14)23-18(27)6-5-11-28-21-25-24-20(26(21)4)17-7-9-22-10-8-17/h7-10,12-13H,5-6,11H2,1-4H3,(H,23,27)