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

Systemtic Name: 2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)ethanamide Openeye Name: 2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide CAS Name: 2-[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-(2,4,6-trimethylphenyl)acetamide IUPAC Name: 2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide Traditional Name: 2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-mesityl-acetamide Formula: C21H23N5OS MolecularWeight: 393.50522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)CSC2=NN=C(N2C3CC3)C4=CN=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)CSC2=NN=C(N2C3CC3)C4=CN=CC=C4)C

InChI

InChI=1S/C21H23N5OS/c1-13-9-14(2)19(15(3)10-13)23-18(27)12-28-21-25-24-20(26(21)17-6-7-17)16-5-4-8-22-11-16/h4-5,8-11,17H,6-7,12H2,1-3H3,(H,23,27)