1-isothiocyanato-2-(3-phenylprop-1-ynyl)benzene

Systemtic Name: 1-isothiocyanato-2-(3-phenylprop-1-ynyl)benzene Openeye Name: 1-isothiocyanato-2-(3-phenylprop-1-ynyl)benzene CAS Name: 1-isothiocyanato-2-(3-phenylprop-1-ynyl)benzene IUPAC Name: 1-isothiocyanato-2-(3-phenylprop-1-ynyl)benzene Traditional Name: 1-isothiocyanato-2-(3-phenylprop-1-ynyl)benzene Formula: C16H11NS MolecularWeight: 249.33024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC#CC2=CC=CC=C2N=C=S

Isomeric SMILES

C1=CC=C(C=C1)CC#CC2=CC=CC=C2N=C=S

InChI

InChI=1S/C16H11NS/c18-13-17-16-12-5-4-10-15(16)11-6-9-14-7-2-1-3-8-14/h1-5,7-8,10,12H,9H2