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

Systemtic Name: 3-[[2-(2-methylpropyl)-5-oxidanyl-3-oxidanylidene-1,2-dihydropyrrol-4-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[(5-hydroxy-2-isobutyl-3-oxo-1,2-dihydropyrrol-4-yl)sulfanylmethyl]benzonitrile CAS Name: 3-[[[5-hydroxy-2-(2-methylpropyl)-3-oxo-1,2-dihydropyrrol-4-yl]thio]methyl]benzonitrile IUPAC Name: 3-[[5-hydroxy-2-(2-methylpropyl)-3-oxo-1,2-dihydropyrrol-4-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[(2-hydroxy-5-isobutyl-4-keto-2-pyrrolin-3-yl)thio]methyl]benzonitrile Formula: C16H18N2O2S MolecularWeight: 302.39132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C(=O)C(=C(N1)O)SCC2=CC=CC(=C2)C#N

Isomeric SMILES

CC(C)CC1C(=O)C(=C(N1)O)SCC2=CC=CC(=C2)C#N

InChI

InChI=1S/C16H18N2O2S/c1-10(2)6-13-14(19)15(16(20)18-13)21-9-12-5-3-4-11(7-12)8-17/h3-5,7,10,13,18,20H,6,9H2,1-2H3