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

Systemtic Name: 2-[[5-methyl-4-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[5-methyl-4-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[5-methyl-4-[3-(2-oxo-1-pyrrolidinyl)propyl]-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[5-methyl-4-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[4-[3-(2-ketopyrrolidino)propyl]-5-methyl-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C12H17N5OS MolecularWeight: 279.36128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CCCN2CCCC2=O)SCC#N

Isomeric SMILES

CC1=NN=C(N1CCCN2CCCC2=O)SCC#N

InChI

InChI=1S/C12H17N5OS/c1-10-14-15-12(19-9-5-13)17(10)8-3-7-16-6-2-4-11(16)18/h2-4,6-9H2,1H3