3-isothiocyanatooct-4-ynylbenzene

Systemtic Name: 3-isothiocyanatooct-4-ynylbenzene Openeye Name: 3-isothiocyanatooct-4-ynylbenzene CAS Name: 3-isothiocyanatooct-4-ynylbenzene IUPAC Name: 3-isothiocyanatooct-4-ynylbenzene Traditional Name: 3-isothiocyanatooct-4-ynylbenzene Formula: C15H17NS MolecularWeight: 243.36718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC#CC(CCC1=CC=CC=C1)N=C=S

Isomeric SMILES

CCCC#CC(CCC1=CC=CC=C1)N=C=S

InChI

InChI=1S/C15H17NS/c1-2-3-5-10-15(16-13-17)12-11-14-8-6-4-7-9-14/h4,6-9,15H,2-3,11-12H2,1H3