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

Systemtic Name: 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylsulfonylphenyl)ethanamide Openeye Name: 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylsulfonylphenyl)acetamide CAS Name: 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(3-methylsulfonylphenyl)acetamide IUPAC Name: 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylsulfonylphenyl)acetamide Traditional Name: N-(3-mesylphenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C18H18N4O3S2 MolecularWeight: 402.49052

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)S(=O)(=O)C)C3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)S(=O)(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C18H18N4O3S2/c1-22-17(13-7-4-3-5-8-13)20-21-18(22)26-12-16(23)19-14-9-6-10-15(11-14)27(2,24)25/h3-11H,12H2,1-2H3,(H,19,23)