1-ethynyl-3-isothiocyanato-benzene

Systemtic Name: 1-ethynyl-3-isothiocyanato-benzene Openeye Name: 1-ethynyl-3-isothiocyanato-benzene CAS Name: 1-ethynyl-3-isothiocyanatobenzene IUPAC Name: 1-ethynyl-3-isothiocyanatobenzene Traditional Name: 1-ethynyl-3-isothiocyanato-benzene Formula: C9H5NS MolecularWeight: 159.2077

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)N=C=S

Isomeric SMILES

C#CC1=CC(=CC=C1)N=C=S

InChI

InChI=1S/C9H5NS/c1-2-8-4-3-5-9(6-8)10-7-11/h1,3-6H