1-(3-methylsulfonyl-1,2,4-triazol-1-yl)-4-phenyl-butan-2-one

Systemtic Name: 1-(3-methylsulfonyl-1,2,4-triazol-1-yl)-4-phenyl-butan-2-one Openeye Name: 1-(3-methylsulfonyl-1,2,4-triazol-1-yl)-4-phenyl-butan-2-one CAS Name: 1-(3-methylsulfonyl-1,2,4-triazol-1-yl)-4-phenyl-2-butanone IUPAC Name: 1-(3-methylsulfonyl-1,2,4-triazol-1-yl)-4-phenylbutan-2-one Traditional Name: 1-(3-mesyl-1,2,4-triazol-1-yl)-4-phenyl-butan-2-one Formula: C13H15N3O3S MolecularWeight: 293.3415

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NN(C=N1)CC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)C1=NN(C=N1)CC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C13H15N3O3S/c1-20(18,19)13-14-10-16(15-13)9-12(17)8-7-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3