4-[3-(4-methylsulfanylphenyl)prop-2-ynoyl]benzenecarbonitrile

Systemtic Name: 4-[3-(4-methylsulfanylphenyl)prop-2-ynoyl]benzenecarbonitrile Openeye Name: 4-[3-(4-methylsulfanylphenyl)prop-2-ynoyl]benzonitrile CAS Name: 4-[3-[4-(methylthio)phenyl]-1-oxoprop-2-ynyl]benzonitrile IUPAC Name: 4-[3-(4-methylsulfanylphenyl)prop-2-ynoyl]benzonitrile Traditional Name: 4-[3-[4-(methylthio)phenyl]propioloyl]benzonitrile Formula: C17H11NOS MolecularWeight: 277.34034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11NOS/c1-20-16-9-4-13(5-10-16)6-11-17(19)15-7-2-14(12-18)3-8-15/h2-5,7-10H,1H3