6-[[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]cyclopentyl]methylsulfanyl]pyridine-3-carbonitrile

Systemtic Name: 6-[[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]cyclopentyl]methylsulfanyl]pyridine-3-carbonitrile Openeye Name: 6-[[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxo-ethyl]amino]cyclopentyl]methylsulfanyl]pyridine-3-carbonitrile CAS Name: 6-[[3-[[2-[(2S)-2-cyano-1-pyrrolidinyl]-2-oxoethyl]amino]cyclopentyl]methylthio]-3-pyridinecarbonitrile IUPAC Name: 6-[[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclopentyl]methylsulfanyl]pyridine-3-carbonitrile Traditional Name: 6-[[3-[[2-[(2S)-2-cyanopyrrolidino]-2-keto-ethyl]amino]cyclopentyl]methylthio]nicotinonitrile Formula: C19H23N5OS MolecularWeight: 369.48382

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CNC2CCC(C2)CSC3=NC=C(C=C3)C#N)C#N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CNC2CCC(C2)CSC3=NC=C(C=C3)C#N)C#N

InChI

InChI=1S/C19H23N5OS/c20-9-15-4-6-18(23-11-15)26-13-14-3-5-16(8-14)22-12-19(25)24-7-1-2-17(24)10-21/h4,6,11,14,16-17,22H,1-3,5,7-8,12-13H2/t14?,16?,17-/m0/s1