4-[3-(2,4-dimethyl-5-oxidanyl-3-oxidanylidene-thiophen-2-yl)prop-1-ynyl]benzenecarbonitrile

Systemtic Name: 4-[3-(2,4-dimethyl-5-oxidanyl-3-oxidanylidene-thiophen-2-yl)prop-1-ynyl]benzenecarbonitrile Openeye Name: 4-[3-(5-hydroxy-2,4-dimethyl-3-oxo-2-thienyl)prop-1-ynyl]benzonitrile CAS Name: 4-[3-(5-hydroxy-2,4-dimethyl-3-oxo-2-thiophenyl)prop-1-ynyl]benzonitrile IUPAC Name: 4-[3-(5-hydroxy-2,4-dimethyl-3-oxothiophen-2-yl)prop-1-ynyl]benzonitrile Traditional Name: 4-[3-(5-hydroxy-3-keto-2,4-dimethyl-2-thienyl)prop-1-ynyl]benzonitrile Formula: C16H13NO2S MolecularWeight: 283.34492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(C1=O)(C)CC#CC2=CC=C(C=C2)C#N)O

Isomeric SMILES

CC1=C(SC(C1=O)(C)CC#CC2=CC=C(C=C2)C#N)O

InChI

InChI=1S/C16H13NO2S/c1-11-14(18)16(2,20-15(11)19)9-3-4-12-5-7-13(10-17)8-6-12/h5-8,19H,9H2,1-2H3