4-[[5-(hydroxymethyl)-3,4-bis(oxidanyl)pyrrolidin-2-yl]methylsulfanyl]benzenecarbonitrile

Systemtic Name: 4-[[5-(hydroxymethyl)-3,4-bis(oxidanyl)pyrrolidin-2-yl]methylsulfanyl]benzenecarbonitrile Openeye Name: 4-[[3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methylsulfanyl]benzonitrile CAS Name: 4-[[3,4-dihydroxy-5-(hydroxymethyl)-2-pyrrolidinyl]methylthio]benzonitrile IUPAC Name: 4-[[3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methylsulfanyl]benzonitrile Traditional Name: 4-[(3,4-dihydroxy-5-methylol-pyrrolidin-2-yl)methylthio]benzonitrile Formula: C13H16N2O3S MolecularWeight: 280.34274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)SCC2C(C(C(N2)CO)O)O

Isomeric SMILES

C1=CC(=CC=C1C#N)SCC2C(C(C(N2)CO)O)O

InChI

InChI=1S/C13H16N2O3S/c14-5-8-1-3-9(4-2-8)19-7-11-13(18)12(17)10(6-16)15-11/h1-4,10-13,15-18H,6-7H2