4-[3-(4-methylsulfanylphenyl)-1-oxidanyl-prop-2-ynyl]benzenecarbonitrile

Systemtic Name: 4-[3-(4-methylsulfanylphenyl)-1-oxidanyl-prop-2-ynyl]benzenecarbonitrile Openeye Name: 4-[1-hydroxy-3-(4-methylsulfanylphenyl)prop-2-ynyl]benzonitrile CAS Name: 4-[1-hydroxy-3-[4-(methylthio)phenyl]prop-2-ynyl]benzonitrile IUPAC Name: 4-[1-hydroxy-3-(4-methylsulfanylphenyl)prop-2-ynyl]benzonitrile Traditional Name: 4-[1-hydroxy-3-[4-(methylthio)phenyl]prop-2-ynyl]benzonitrile Formula: C17H13NOS MolecularWeight: 279.35622

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C#CC(C2=CC=C(C=C2)C#N)O

Isomeric SMILES

CSC1=CC=C(C=C1)C#CC(C2=CC=C(C=C2)C#N)O

InChI

InChI=1S/C17H13NOS/c1-20-16-9-4-13(5-10-16)6-11-17(19)15-7-2-14(12-18)3-8-15/h2-5,7-10,17,19H,1H3