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

Systemtic Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylsulfonylphenyl)ethanone Openeye Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylsulfonylphenyl)ethanone CAS Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]-1-(4-methylsulfonylphenyl)ethanone IUPAC Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylsulfonylphenyl)ethanone Traditional Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]-1-(4-mesylphenyl)ethanone Formula: C13H15N3O3S2 MolecularWeight: 325.4065

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C)SCC(=O)C2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CC1=NN=C(N1C)SCC(=O)C2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C13H15N3O3S2/c1-9-14-15-13(16(9)2)20-8-12(17)10-4-6-11(7-5-10)21(3,18)19/h4-7H,8H2,1-3H3