1-butan-2-yl-3-ethyl-2-isothiocyanato-benzene

Systemtic Name: 1-butan-2-yl-3-ethyl-2-isothiocyanato-benzene Openeye Name: 1-ethyl-2-isothiocyanato-3-sec-butyl-benzene CAS Name: 1-butan-2-yl-3-ethyl-2-isothiocyanatobenzene IUPAC Name: 1-butan-2-yl-3-ethyl-2-isothiocyanatobenzene Traditional Name: 1-ethyl-2-isothiocyanato-3-sec-butyl-benzene Formula: C13H17NS MolecularWeight: 219.34578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NS/c1-4-10(3)12-8-6-7-11(5-2)13(12)14-9-15/h6-8,10H,4-5H2,1-3H3