2-[[4-methyl-5-[(4-methylphenyl)sulfonylmethyl]-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[[4-methyl-5-[(4-methylphenyl)sulfonylmethyl]-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[[4-methyl-5-(p-tolylsulfonylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[4-methyl-5-[(4-methylphenyl)sulfonylmethyl]-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[[4-methyl-5-[(4-methylphenyl)sulfonylmethyl]-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[4-methyl-5-(tosylmethyl)-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-ethanone Formula: C17H22N4O3S2 MolecularWeight: 394.51158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=NN=C(N2C)SCC(=O)N3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=NN=C(N2C)SCC(=O)N3CCCC3

InChI

InChI=1S/C17H22N4O3S2/c1-13-5-7-14(8-6-13)26(23,24)12-15-18-19-17(20(15)2)25-11-16(22)21-9-3-4-10-21/h5-8H,3-4,9-12H2,1-2H3