[(3S)-3-[4-ethyl-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [(3S)-3-[4-ethyl-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-pyrrolidin-1-yl-methanone Openeye Name: [(3S)-3-[4-ethyl-5-(3-pyridylmethylsulfanyl)-1,2,4-triazol-3-yl]-1-piperidyl]-pyrrolidin-1-yl-methanone CAS Name: [(3S)-3-[4-ethyl-5-(3-pyridinylmethylthio)-1,2,4-triazol-3-yl]-1-piperidinyl]-(1-pyrrolidinyl)methanone IUPAC Name: [(3S)-3-[4-ethyl-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-pyrrolidin-1-ylmethanone Traditional Name: [(3S)-3-[4-ethyl-5-(3-pyridylmethylthio)-1,2,4-triazol-3-yl]piperidino]-pyrrolidino-methanone Formula: C20H28N6OS MolecularWeight: 400.54092

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CN=CC=C2)C3CCCN(C3)C(=O)N4CCCC4

Isomeric SMILES

CCN1C(=NN=C1SCC2=CN=CC=C2)[C@H]3CCCN(C3)C(=O)N4CCCC4

InChI

InChI=1S/C20H28N6OS/c1-2-26-18(22-23-19(26)28-15-16-7-5-9-21-13-16)17-8-6-12-25(14-17)20(27)24-10-3-4-11-24/h5,7,9,13,17H,2-4,6,8,10-12,14-15H2,1H3/t17-/m0/s1