1,3-di(butan-2-yl)-2-isothiocyanato-benzene

Systemtic Name: 1,3-di(butan-2-yl)-2-isothiocyanato-benzene Openeye Name: 2-isothiocyanato-1,3-disec-butyl-benzene CAS Name: 1,3-di(butan-2-yl)-2-isothiocyanatobenzene IUPAC Name: 1,3-di(butan-2-yl)-2-isothiocyanatobenzene Traditional Name: 2-isothiocyanato-1,3-disec-butyl-benzene Formula: C15H21NS MolecularWeight: 247.39894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NS/c1-5-11(3)13-8-7-9-14(12(4)6-2)15(13)16-10-17/h7-9,11-12H,5-6H2,1-4H3