1-(4-methylsulfonylphenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(4-methylsulfonylphenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylsulfonylphenyl)ethanone CAS Name: 1-(4-methylsulfonylphenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(4-methylsulfonylphenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)thio]-1-(4-mesylphenyl)ethanone Formula: C14H17N3O3S2 MolecularWeight: 339.43308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1)SCC(=O)C2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CC(C)C1=NC(=NN1)SCC(=O)C2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C14H17N3O3S2/c1-9(2)13-15-14(17-16-13)21-8-12(18)10-4-6-11(7-5-10)22(3,19)20/h4-7,9H,8H2,1-3H3,(H,15,16,17)