1-(4-methylpiperidin-1-yl)-2-[[5-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(4-methylpiperidin-1-yl)-2-[[5-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(4-methyl-1-piperidyl)-2-[[5-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-methyl-1-piperidinyl)-2-[[5-[4-(1-pyrrolidinylsulfonyl)phenyl]-1H-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-methylpiperidin-1-yl)-2-[[5-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(4-methylpiperidino)-2-[[5-(4-pyrrolidinosulfonylphenyl)-1H-1,2,4-triazol-3-yl]thio]ethanone Formula: C20H27N5O3S2 MolecularWeight: 449.59008

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CSC2=NNC(=N2)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1CCN(CC1)C(=O)CSC2=NNC(=N2)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C20H27N5O3S2/c1-15-8-12-24(13-9-15)18(26)14-29-20-21-19(22-23-20)16-4-6-17(7-5-16)30(27,28)25-10-2-3-11-25/h4-7,15H,2-3,8-14H2,1H3,(H,21,22,23)