2-[[4-(2,5-dimethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-ethanamide

Systemtic Name: 2-[[4-(2,5-dimethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-ethanamide Openeye Name: 2-[[4-(2,5-dimethylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-acetamide CAS Name: 2-[[4-(2,5-dimethylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-methylacetamide IUPAC Name: 2-[[4-(2,5-dimethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide Traditional Name: 2-[[4-(2,5-dimethylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-methyl-acetamide Formula: C18H19N5OS MolecularWeight: 353.44136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=NN=C2SCC(=O)NC)C3=CN=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=NN=C2SCC(=O)NC)C3=CN=CC=C3

InChI

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