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

Systemtic Name: 2-[(4-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)ethanamide Openeye Name: 2-[[4-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide CAS Name: 2-[[4-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-(2,4,6-trimethylphenyl)acetamide IUPAC Name: 2-[(4-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide Traditional Name: N-mesityl-2-[[4-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C18H19N5OS MolecularWeight: 353.44136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)CSC2=NN=CN2C3=CN=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)CSC2=NN=CN2C3=CN=CC=C3)C

InChI

InChI=1S/C18H19N5OS/c1-12-7-13(2)17(14(3)8-12)21-16(24)10-25-18-22-20-11-23(18)15-5-4-6-19-9-15/h4-9,11H,10H2,1-3H3,(H,21,24)