3-[2-[2,5-bis(oxidanylidene)pyrrol-1-yl]phenyl]sulfanylpropanenitrile

Systemtic Name: 3-[2-[2,5-bis(oxidanylidene)pyrrol-1-yl]phenyl]sulfanylpropanenitrile Openeye Name: 3-[2-(2,5-dioxopyrrol-1-yl)phenyl]sulfanylpropanenitrile CAS Name: 3-[[2-(2,5-dioxo-1-pyrrolyl)phenyl]thio]propanenitrile IUPAC Name: 3-[2-(2,5-dioxopyrrol-1-yl)phenyl]sulfanylpropanenitrile Traditional Name: 3-[(2-maleimidophenyl)thio]propionitrile Formula: C13H10N2O2S MolecularWeight: 258.2957

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N2C(=O)C=CC2=O)SCCC#N

Isomeric SMILES

C1=CC=C(C(=C1)N2C(=O)C=CC2=O)SCCC#N

InChI

InChI=1S/C13H10N2O2S/c14-8-3-9-18-11-5-2-1-4-10(11)15-12(16)6-7-13(15)17/h1-2,4-7H,3,9H2