1-ethyl-2-[1-(isothiocyanatomethyl)cyclohexyl]benzene

Systemtic Name: 1-ethyl-2-[1-(isothiocyanatomethyl)cyclohexyl]benzene Openeye Name: 1-ethyl-2-[1-(isothiocyanatomethyl)cyclohexyl]benzene CAS Name: 1-ethyl-2-[1-(isothiocyanatomethyl)cyclohexyl]benzene IUPAC Name: 1-ethyl-2-[1-(isothiocyanatomethyl)cyclohexyl]benzene Traditional Name: 1-ethyl-2-[1-(isothiocyanatomethyl)cyclohexyl]benzene Formula: C16H21NS MolecularWeight: 259.40964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C2(CCCCC2)CN=C=S

Isomeric SMILES

CCC1=CC=CC=C1C2(CCCCC2)CN=C=S

InChI

InChI=1S/C16H21NS/c1-2-14-8-4-5-9-15(14)16(12-17-13-18)10-6-3-7-11-16/h4-5,8-9H,2-3,6-7,10-12H2,1H3