3-[(5-oxidanyl-3-oxidanylidene-2-phenethyl-1,2-dihydropyrrol-4-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[(5-oxidanyl-3-oxidanylidene-2-phenethyl-1,2-dihydropyrrol-4-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[(5-hydroxy-3-oxo-2-phenethyl-1,2-dihydropyrrol-4-yl)sulfanylmethyl]benzonitrile CAS Name: 3-[[(5-hydroxy-3-oxo-2-phenethyl-1,2-dihydropyrrol-4-yl)thio]methyl]benzonitrile IUPAC Name: 3-[(5-hydroxy-3-oxo-2-phenethyl-1,2-dihydropyrrol-4-yl)sulfanylmethyl]benzonitrile Traditional Name: 3-[[(2-hydroxy-4-keto-5-phenethyl-2-pyrrolin-3-yl)thio]methyl]benzonitrile Formula: C20H18N2O2S MolecularWeight: 350.43412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2C(=O)C(=C(N2)O)SCC3=CC=CC(=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)CCC2C(=O)C(=C(N2)O)SCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H18N2O2S/c21-12-15-7-4-8-16(11-15)13-25-19-18(23)17(22-20(19)24)10-9-14-5-2-1-3-6-14/h1-8,11,17,22,24H,9-10,13H2