3-[[5-[(2-oxidanylidenepyrrolidin-1-yl)methyl]-4-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile

Systemtic Name: 3-[[5-[(2-oxidanylidenepyrrolidin-1-yl)methyl]-4-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 3-[[5-[(2-oxopyrrolidin-1-yl)methyl]-4-(2-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 3-[[5-[(2-oxo-1-pyrrolidinyl)methyl]-4-(2-pyridinyl)-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 3-[[5-[(2-oxopyrrolidin-1-yl)methyl]-4-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 3-[[5-[(2-ketopyrrolidino)methyl]-4-(2-pyridyl)-1,2,4-triazol-3-yl]thio]propionitrile Formula: C15H16N6OS MolecularWeight: 328.39214

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CC2=NN=C(N2C3=CC=CC=N3)SCCC#N

Isomeric SMILES

C1CC(=O)N(C1)CC2=NN=C(N2C3=CC=CC=N3)SCCC#N

InChI

InChI=1S/C15H16N6OS/c16-7-4-10-23-15-19-18-13(11-20-9-3-6-14(20)22)21(15)12-5-1-2-8-17-12/h1-2,5,8H,3-4,6,9-11H2