4-[3,4-bis(2-hydroxyethylsulfanyl)-2,5-bis(oxidanylidene)pyrrol-1-yl]benzenecarbonitrile

Systemtic Name: 4-[3,4-bis(2-hydroxyethylsulfanyl)-2,5-bis(oxidanylidene)pyrrol-1-yl]benzenecarbonitrile Openeye Name: 4-[3,4-bis(2-hydroxyethylsulfanyl)-2,5-dioxo-pyrrol-1-yl]benzonitrile CAS Name: 4-[3,4-bis(2-hydroxyethylthio)-2,5-dioxo-1-pyrrolyl]benzonitrile IUPAC Name: 4-[3,4-bis(2-hydroxyethylsulfanyl)-2,5-dioxopyrrol-1-yl]benzonitrile Traditional Name: 4-[3,4-bis(2-hydroxyethylthio)-2,5-diketo-3-pyrrolin-1-yl]benzonitrile Formula: C15H14N2O4S2 MolecularWeight: 350.41266

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)N2C(=O)C(=C(C2=O)SCCO)SCCO

Isomeric SMILES

C1=CC(=CC=C1C#N)N2C(=O)C(=C(C2=O)SCCO)SCCO

InChI

InChI=1S/C15H14N2O4S2/c16-9-10-1-3-11(4-2-10)17-14(20)12(22-7-5-18)13(15(17)21)23-8-6-19/h1-4,18-19H,5-8H2