2-isothiocyanato-1,3-dimethyl-5-pentyl-benzene

Systemtic Name: 2-isothiocyanato-1,3-dimethyl-5-pentyl-benzene Openeye Name: 2-isothiocyanato-1,3-dimethyl-5-pentyl-benzene CAS Name: 2-isothiocyanato-1,3-dimethyl-5-pentylbenzene IUPAC Name: 2-isothiocyanato-1,3-dimethyl-5-pentylbenzene Traditional Name: 5-amyl-2-isothiocyanato-1,3-dimethyl-benzene Formula: C14H19NS MolecularWeight: 233.37236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C(=C1)C)N=C=S)C

Isomeric SMILES

CCCCCC1=CC(=C(C(=C1)C)N=C=S)C

InChI

InChI=1S/C14H19NS/c1-4-5-6-7-13-8-11(2)14(15-10-16)12(3)9-13/h8-9H,4-7H2,1-3H3