1-(2-ethanoyl-5-methylsulfonyl-3-phenyl-3H-1,2,4-triazol-4-yl)ethanone

Systemtic Name: 1-(2-ethanoyl-5-methylsulfonyl-3-phenyl-3H-1,2,4-triazol-4-yl)ethanone Openeye Name: 1-(2-acetyl-5-methylsulfonyl-3-phenyl-3H-1,2,4-triazol-4-yl)ethanone CAS Name: 1-(2-acetyl-5-methylsulfonyl-3-phenyl-3H-1,2,4-triazol-4-yl)ethanone IUPAC Name: 1-(2-acetyl-5-methylsulfonyl-3-phenyl-3H-1,2,4-triazol-4-yl)ethanone Traditional Name: 1-(2-acetyl-5-mesyl-3-phenyl-3H-1,2,4-triazol-4-yl)ethanone Formula: C13H15N3O4S MolecularWeight: 309.3409

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(N(N=C1S(=O)(=O)C)C(=O)C)C2=CC=CC=C2

Isomeric SMILES

CC(=O)N1C(N(N=C1S(=O)(=O)C)C(=O)C)C2=CC=CC=C2

InChI

InChI=1S/C13H15N3O4S/c1-9(17)15-12(11-7-5-4-6-8-11)16(10(2)18)14-13(15)21(3,19)20/h4-8,12H,1-3H3