4-[4-methyl-5-(2-pyrrolidin-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]-1-(phenylsulfonyl)piperidine

Systemtic Name: 4-[4-methyl-5-(2-pyrrolidin-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]-1-(phenylsulfonyl)piperidine Openeye Name: 1-(benzenesulfonyl)-4-[4-methyl-5-(2-pyrrolidin-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]piperidine CAS Name: 1-(benzenesulfonyl)-4-[4-methyl-5-[2-(1-pyrrolidinyl)ethylthio]-1,2,4-triazol-3-yl]piperidine IUPAC Name: 1-(benzenesulfonyl)-4-[4-methyl-5-(2-pyrrolidin-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]piperidine Traditional Name: 1-besyl-4-[4-methyl-5-(2-pyrrolidinoethylthio)-1,2,4-triazol-3-yl]piperidine Formula: C20H29N5O2S2 MolecularWeight: 435.60656

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCN2CCCC2)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CN1C(=NN=C1SCCN2CCCC2)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H29N5O2S2/c1-23-19(21-22-20(23)28-16-15-24-11-5-6-12-24)17-9-13-25(14-10-17)29(26,27)18-7-3-2-4-8-18/h2-4,7-8,17H,5-6,9-16H2,1H3