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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1C(=O)C(=C(N1)O)SCC2=CC=CC(=C2)C#N

Isomeric SMILES

CCC(C)C1C(=O)C(=C(N1)O)SCC2=CC=CC(=C2)C#N

InChI

InChI=1S/C16H18N2O2S/c1-3-10(2)13-14(19)15(16(20)18-13)21-9-12-6-4-5-11(7-12)8-17/h4-7,10,13,18,20H,3,9H2,1-2H3