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

Systemtic Name: [(3S)-3-[4-propan-2-yl-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-pyrrolidin-1-yl-methanone Openeye Name: [(3S)-3-[4-isopropyl-5-(3-pyridylmethylsulfanyl)-1,2,4-triazol-3-yl]-1-piperidyl]-pyrrolidin-1-yl-methanone CAS Name: [(3S)-3-[4-propan-2-yl-5-(3-pyridinylmethylthio)-1,2,4-triazol-3-yl]-1-piperidinyl]-(1-pyrrolidinyl)methanone IUPAC Name: [(3S)-3-[4-propan-2-yl-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-pyrrolidin-1-ylmethanone Traditional Name: [(3S)-3-[4-isopropyl-5-(3-pyridylmethylthio)-1,2,4-triazol-3-yl]piperidino]-pyrrolidino-methanone Formula: C21H30N6OS MolecularWeight: 414.5675

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=C1SCC2=CN=CC=C2)C3CCCN(C3)C(=O)N4CCCC4

Isomeric SMILES

CC(C)N1C(=NN=C1SCC2=CN=CC=C2)[C@H]3CCCN(C3)C(=O)N4CCCC4

InChI

InChI=1S/C21H30N6OS/c1-16(2)27-19(23-24-20(27)29-15-17-7-5-9-22-13-17)18-8-6-12-26(14-18)21(28)25-10-3-4-11-25/h5,7,9,13,16,18H,3-4,6,8,10-12,14-15H2,1-2H3/t18-/m0/s1